1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide

C15H20N6O — CID 119998839

IUPAC1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)c1cccnc1
InChIInChI=1S/C15H20N6O/c1-11(12-3-2-6-17-9-12)18-15(22)14-10-21(20-19-14)13-4-7-16-8-5-13/h2-3,6,9-11,13,16H,4-5,7-8H2,1H3,(H,18,22)
InChIKeyBQAPAOHKJQZUBB-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.09
Rot. Bonds4

About 1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide

1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide (PubChem CID 119998839) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
PubChem CID119998839
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)c1cccnc1
InChIInChI=1S/C15H20N6O/c1-11(12-3-2-6-17-9-12)18-15(22)14-10-21(20-19-14)13-4-7-16-8-5-13/h2-3,6,9-11,13,16H,4-5,7-8H2,1H3,(H,18,22)
InChIKeyBQAPAOHKJQZUBB-UHFFFAOYSA-N
XLogP1.09
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide
CID 119897450
N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119899969
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
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-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119745541
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-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119871699

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide (CID 119998839) is 1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide is CC(NC(=O)c1cn(C2CCNCC2)nn1)c1cccnc1.
What is the InChIKey of 1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide?
The InChIKey is BQAPAOHKJQZUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11(12-3-2-6-17-9-12)18-15(22)14-10-21(20-19-14)13-4-7-16-8-5-13/h2-3,6,9-11,13,16H,4-5,7-8H2,1H3,(H,18,22).
What are the key properties of 1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide?
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.09, 4 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-pyridin-3-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 119998839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).