N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide

C18H25N5OS — CID 26362247

IUPACN-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cn([C@H]2CCCN(Cc3ccsc3)C2)nn1
InChIInChI=1S/C18H25N5OS/c24-18(19-15-4-1-2-5-15)17-12-23(21-20-17)16-6-3-8-22(11-16)10-14-7-9-25-13-14/h7,9,12-13,15-16H,1-6,8,10-11H2,(H,19,24)/t16-/m0/s1
InChIKeyBKRDUJKSSFWTSN-INIZCTEOSA-N
MW359.50 g/mol
LogP2.85
Rot. Bonds5

About N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide

N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide (PubChem CID 26362247) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
PubChem CID26362247
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cn([C@H]2CCCN(Cc3ccsc3)C2)nn1
InChIInChI=1S/C18H25N5OS/c24-18(19-15-4-1-2-5-15)17-12-23(21-20-17)16-6-3-8-22(11-16)10-14-7-9-25-13-14/h7,9,12-13,15-16H,1-6,8,10-11H2,(H,19,24)/t16-/m0/s1
InChIKeyBKRDUJKSSFWTSN-INIZCTEOSA-N
XLogP2.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(diethylamino)-2-oxoethyl]-N-(3-thienylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 42404427
1-(cis-4-aminocyclohexyl)-N-[(3-methyl-2-thienyl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 70787719
N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide
CID 100690813
[(2S)-2-methylpiperazin-1-yl]-[1-(thiophen-2-ylmethyl)triazol-4-yl]methanone
CID 120109225
N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 164631873
1-(thiophen-2-ylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride
CID 120813198
1-(thiophen-2-ylmethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-carboxamide
CID 120813199
1-{[(2S,4S)-4-Fluoro-1-(3-thienylcarbonyl)tetrahydro-1H-pyrrol-2-YL]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
CID 137901864
((2S,4S)-4-Fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-YL]methyl}tetrahydro-1H-pyrrol-1-YL)(3-thienyl)methanone
CID 137901899
1-{[(2S)-4,4-Difluoro-1-(3-thienylcarbonyl)tetrahydro-1H-pyrrol-2-YL]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 137904082
1-{[(2S)-4,4-Difluoro-1-(3-thienylcarbonyl)tetrahydro-1H-pyrrol-2-YL]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
CID 137904228
(1-{[(2S)-4,4-Difluoro-1-(3-thienylmethyl)tetrahydro-1H-pyrrol-2-YL]methyl}-1H-1,2,3-triazol-4-YL)(1-pyrrolidinyl)methanone
CID 137961819

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide (CID 26362247) is N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide is O=C(NC1CCCC1)c1cn([C@H]2CCCN(Cc3ccsc3)C2)nn1.
What is the InChIKey of N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is BKRDUJKSSFWTSN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5OS/c24-18(19-15-4-1-2-5-15)17-12-23(21-20-17)16-6-3-8-22(11-16)10-14-7-9-25-13-14/h7,9,12-13,15-16H,1-6,8,10-11H2,(H,19,24)/t16-/m0/s1.
What are the key properties of N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 26362247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).