2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride

C16H22ClN5O — CID 119558694

IUPAC2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H21N5O.ClH/c22-16(18-10-8-13-5-4-9-17-11-13)15-12-19-21(20-15)14-6-2-1-3-7-14;/h1-3,6-7,12-13,17H,4-5,8-11H2,(H,18,22);1H
InChIKeyADNCQJRWHJTBSL-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.81
Rot. Bonds5

About 2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride

2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119558694) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
PubChem CID119558694
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H21N5O.ClH/c22-16(18-10-8-13-5-4-9-17-11-13)15-12-19-21(20-15)14-6-2-1-3-7-14;/h1-3,6-7,12-13,17H,4-5,8-11H2,(H,18,22);1H
InChIKeyADNCQJRWHJTBSL-UHFFFAOYSA-N
XLogP1.81
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119535740
2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119448479
2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119554950
2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
CID 43345759
1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119556680
N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63627853
1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119557582
1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide
CID 119557613
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride (CID 119558694) is 2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is ADNCQJRWHJTBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.ClH/c22-16(18-10-8-13-5-4-9-17-11-13)15-12-19-21(20-15)14-6-2-1-3-7-14;/h1-3,6-7,12-13,17H,4-5,8-11H2,(H,18,22);1H.
What are the key properties of 2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride?
2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119558694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).