N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide

C18H25N5O — CID 119790461

IUPACN-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)C(C)c1ccccc1
InChIInChI=1S/C18H25N5O/c1-13(15-6-4-3-5-7-15)14(2)20-18(24)17-12-23(22-21-17)16-8-10-19-11-9-16/h3-7,12-14,16,19H,8-11H2,1-2H3,(H,20,24)
InChIKeyMSVZBQQJBVQCGZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.12
Rot. Bonds5

About N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide

N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119790461) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119790461
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)C(C)c1ccccc1
InChIInChI=1S/C18H25N5O/c1-13(15-6-4-3-5-7-15)14(2)20-18(24)17-12-23(22-21-17)16-8-10-19-11-9-16/h3-7,12-14,16,19H,8-11H2,1-2H3,(H,20,24)
InChIKeyMSVZBQQJBVQCGZ-UHFFFAOYSA-N
XLogP2.12
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119794039
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822395
N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119782766
1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900394
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
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

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119790461) is N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide is CC(NC(=O)c1cn(C2CCNCC2)nn1)C(C)c1ccccc1.
What is the InChIKey of N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is MSVZBQQJBVQCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13(15-6-4-3-5-7-15)14(2)20-18(24)17-12-23(22-21-17)16-8-10-19-11-9-16/h3-7,12-14,16,19H,8-11H2,1-2H3,(H,20,24).
What are the key properties of N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119790461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).