1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide

C15H21N5OS — CID 129488911

IUPAC1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide
SMILESC[C@@H](CNC(=O)c1ncn([C@@H]2CCCNC2)n1)c1ccsc1
InChIInChI=1S/C15H21N5OS/c1-11(12-4-6-22-9-12)7-17-15(21)14-18-10-20(19-14)13-3-2-5-16-8-13/h4,6,9-11,13,16H,2-3,5,7-8H2,1H3,(H,17,21)/t11-,13+/m0/s1
InChIKeyXKOFUWOAUSLFNF-WCQYABFASA-N
MW319.43 g/mol
LogP1.80
Rot. Bonds5

About 1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide

1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide (PubChem CID 129488911) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide
PubChem CID129488911
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide
SMILESC[C@@H](CNC(=O)c1ncn([C@@H]2CCCNC2)n1)c1ccsc1
InChIInChI=1S/C15H21N5OS/c1-11(12-4-6-22-9-12)7-17-15(21)14-18-10-20(19-14)13-3-2-5-16-8-13/h4,6,9-11,13,16H,2-3,5,7-8H2,1H3,(H,17,21)/t11-,13+/m0/s1
InChIKeyXKOFUWOAUSLFNF-WCQYABFASA-N
XLogP1.80
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide
CID 129489835
1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 129466028
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-[(3S)-piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129489919
methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate
CID 163353124
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 128997121
(3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 106435475
N-[(1R,2S)-2-phenylcyclopropyl]-1-[(3S)-piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488916
1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 128995991
N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 71645364
N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine
CID 115907862
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide
CID 167826934
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97019953

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide (CID 129488911) is 1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide is C[C@@H](CNC(=O)c1ncn([C@@H]2CCCNC2)n1)c1ccsc1.
What is the InChIKey of 1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is XKOFUWOAUSLFNF-WCQYABFASA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11(12-4-6-22-9-12)7-17-15(21)14-18-10-20(19-14)13-3-2-5-16-8-13/h4,6,9-11,13,16H,2-3,5,7-8H2,1H3,(H,17,21)/t11-,13+/m0/s1.
What are the key properties of 1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide?
1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 129488911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).