1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide

C15H21N5OS — CID 119722713

IUPAC1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H21N5OS/c1-11(9-13-3-2-8-22-13)17-15(21)14-10-20(19-18-14)12-4-6-16-7-5-12/h2-3,8,10-12,16H,4-7,9H2,1H3,(H,17,21)
InChIKeyMRIXVSQAEDFXOS-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.63
Rot. Bonds5

About 1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide

1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide (PubChem CID 119722713) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide
PubChem CID119722713
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide
SMILESCC(Cc1cccs1)NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H21N5OS/c1-11(9-13-3-2-8-22-13)17-15(21)14-10-20(19-18-14)12-4-6-16-7-5-12/h2-3,8,10-12,16H,4-7,9H2,1H3,(H,17,21)
InChIKeyMRIXVSQAEDFXOS-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 63283028
N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119734871
N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119734870
N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283433
N-(4-ethylsulfanylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 115740009
2-[4-(1-thiophen-2-ylpropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288982
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 79250057
N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119782809
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide (CID 119722713) is 1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide is CC(Cc1cccs1)NC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide?
The InChIKey is MRIXVSQAEDFXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11(9-13-3-2-8-22-13)17-15(21)14-10-20(19-18-14)12-4-6-16-7-5-12/h2-3,8,10-12,16H,4-7,9H2,1H3,(H,17,21).
What are the key properties of 1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide?
1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 119722713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).