2PZ
N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide
Created: | 2013-12-25 |
Last modified: | 2014-03-12 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 43 |
Chiral Atom Count | 0 |
Bond Count | 45 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide |
Systematic Name (OpenEye OEToolkits) | 2-azanyl-N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]ethanamide |
Formula | C16 H22 N4 O |
Molecular Weight | 286.372 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC3CCN(Cc1cnc2ccccc12)CC3)CN |
SMILES | CACTVS | 3.385 | NCC(=O)NC1CCN(CC1)Cc2c[nH]c3ccccc23 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN |
Canonical SMILES | CACTVS | 3.385 | NCC(=O)NC1CCN(CC1)Cc2c[nH]c3ccccc23 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NC(=O)CN |
InChI | InChI | 1.03 | InChI=1S/C16H22N4O/c17-9-16(21)19-13-5-7-20(8-6-13)11-12-10-18-15-4-2-1-3-14(12)15/h1-4,10,13,18H,5-9,11,17H2,(H,19,21) |
InChIKey | InChI | 1.03 | CVIHXVZLCLPGPP-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 117072009 |
ChEMBL | CHEMBL4169930 |