N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride

C16H22ClN5O — CID 119345694

IUPACN-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNCC1)c1cn(-c2ccccc2)nn1.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-12(18-16(22)13-7-9-17-10-8-13)15-11-21(20-19-15)14-5-3-2-4-6-14;/h2-6,11-13,17H,7-10H2,1H3,(H,18,22);1H
InChIKeyOXQIKILUZNDBSX-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.87
Rot. Bonds4

About N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride

N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119345694) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119345694
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC NameN-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNCC1)c1cn(-c2ccccc2)nn1.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-12(18-16(22)13-7-9-17-10-8-13)15-11-21(20-19-15)14-5-3-2-4-6-14;/h2-6,11-13,17H,7-10H2,1H3,(H,18,22);1H
InChIKeyOXQIKILUZNDBSX-UHFFFAOYSA-N
XLogP1.87
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(1-phenyltriazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674668
N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822395
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119822429
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119822435
N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 71917956
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119940587
(2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide
CID 119822438
2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119345704
3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 97089427
N-[1-(1-phenyltriazol-4-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 71969366
(3S,4S)-1-[1-(1-phenyltriazol-4-yl)ethylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122006794

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride (CID 119345694) is N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride is CC(NC(=O)C1CCNCC1)c1cn(-c2ccccc2)nn1.Cl.
What is the InChIKey of N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is OXQIKILUZNDBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.ClH/c1-12(18-16(22)13-7-9-17-10-8-13)15-11-21(20-19-15)14-5-3-2-4-6-14;/h2-6,11-13,17H,7-10H2,1H3,(H,18,22);1H.
What are the key properties of N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride?
N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119345694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).