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

C16H22ClN5O — CID 119271886

IUPACN-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNCC1)c1ccc(-n2cncn2)cc1.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-12(20-16(22)14-6-8-17-9-7-14)13-2-4-15(5-3-13)21-11-18-10-19-21;/h2-5,10-12,14,17H,6-9H2,1H3,(H,20,22);1H
InChIKeyVCMPFUQIXHGTMM-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.87
Rot. Bonds4

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

N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119271886) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119271886
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC NameN-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNCC1)c1ccc(-n2cncn2)cc1.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-12(20-16(22)14-6-8-17-9-7-14)13-2-4-15(5-3-13)21-11-18-10-19-21;/h2-5,10-12,14,17H,6-9H2,1H3,(H,20,22);1H
InChIKeyVCMPFUQIXHGTMM-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

N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclohexanecarboxamide
CID 17427032
4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672318
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 119271899
ethyl 4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]piperidine-1-carboxylate
CID 40881117
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119271876
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
(3S)-1-N-phenyl-3-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1,3-dicarboxamide
CID 40811999
2-cyclopentyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 41088887
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
1-(4-ethylphenyl)-5-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 43030681
1-(3,4-dichlorophenyl)-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 86828184

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride (CID 119271886) is N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride is CC(NC(=O)C1CCNCC1)c1ccc(-n2cncn2)cc1.Cl.
What is the InChIKey of N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is VCMPFUQIXHGTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.ClH/c1-12(20-16(22)14-6-8-17-9-7-14)13-2-4-15(5-3-13)21-11-18-10-19-21;/h2-5,10-12,14,17H,6-9H2,1H3,(H,20,22);1H.
What are the key properties of N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]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-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119271886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).