N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride

C20H22ClN5O — CID 119295911

IUPACN-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)C1CCCNC1
InChIInChI=1S/C20H21N5O.ClH/c26-20(15-9-6-12-21-13-15)22-17-11-5-4-10-16(17)19-23-18(24-25-19)14-7-2-1-3-8-14;/h1-5,7-8,10-11,15,21H,6,9,12-13H2,(H,22,26)(H,23,24,25);1H
InChIKeyMGDCHTLGJAJELO-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.50
Rot. Bonds4

About N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride

N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119295911) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119295911
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC NameN-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)C1CCCNC1
InChIInChI=1S/C20H21N5O.ClH/c26-20(15-9-6-12-21-13-15)22-17-11-5-4-10-16(17)19-23-18(24-25-19)14-7-2-1-3-8-14;/h1-5,7-8,10-11,15,21H,6,9,12-13H2,(H,22,26)(H,23,24,25);1H
InChIKeyMGDCHTLGJAJELO-UHFFFAOYSA-N
XLogP3.50
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-4-carboxamide
CID 120623836
N-(2-benzamidophenyl)piperidine-3-carboxamide;hydrochloride
CID 119282577
N-(2-thiophen-2-ylphenyl)piperidine-3-carboxamide
CID 43709708
2-(2-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 55990912
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 119311516
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 43706685
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119294822
N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 43700489
N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 61354389

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119295911) is N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)C1CCCNC1.
What is the InChIKey of N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is MGDCHTLGJAJELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O.ClH/c26-20(15-9-6-12-21-13-15)22-17-11-5-4-10-16(17)19-23-18(24-25-19)14-7-2-1-3-8-14;/h1-5,7-8,10-11,15,21H,6,9,12-13H2,(H,22,26)(H,23,24,25);1H.
What are the key properties of N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 383.88 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119295911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).