1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide

C21H24N6O — CID 119897450

IUPAC1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C21H24N6O/c1-15(16-4-6-17(7-5-16)18-3-2-10-23-13-18)24-21(28)20-14-27(26-25-20)19-8-11-22-12-9-19/h2-7,10,13-15,19,22H,8-9,11-12H2,1H3,(H,24,28)
InChIKeyKHWYKLQBKRQVBG-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.76
Rot. Bonds5

About 1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide

1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide (PubChem CID 119897450) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide
PubChem CID119897450
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C21H24N6O/c1-15(16-4-6-17(7-5-16)18-3-2-10-23-13-18)24-21(28)20-14-27(26-25-20)19-8-11-22-12-9-19/h2-7,10,13-15,19,22H,8-9,11-12H2,1H3,(H,24,28)
InChIKeyKHWYKLQBKRQVBG-UHFFFAOYSA-N
XLogP2.76
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(azetidin-3-yl)-N-[(1R)-1-pyridin-3-ylethyl]triazole-4-carboxamide
CID 81404648
1-(azetidin-3-yl)-N-[(1S)-1-pyridin-3-ylethyl]triazole-4-carboxamide
CID 81405057
N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119871699
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119735222
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815206
N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119899969
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119745542
1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900394
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119745541

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide (CID 119897450) is 1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide is CC(NC(=O)c1cn(C2CCNCC2)nn1)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide?
The InChIKey is KHWYKLQBKRQVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15(16-4-6-17(7-5-16)18-3-2-10-23-13-18)24-21(28)20-14-27(26-25-20)19-8-11-22-12-9-19/h2-7,10,13-15,19,22H,8-9,11-12H2,1H3,(H,24,28).
What are the key properties of 1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide?
1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.76, 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-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 119897450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).