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

C16H22ClN5O — CID 119294822

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCCn1cnnc1-c1ccccc1NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-2-21-11-18-20-15(21)13-7-3-4-8-14(13)19-16(22)12-6-5-9-17-10-12;/h3-4,7-8,11-12,17H,2,5-6,9-10H2,1H3,(H,19,22);1H
InChIKeyHNPBMAKDXDEVCG-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.32
Rot. Bonds4

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

N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119294822) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119294822
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCCn1cnnc1-c1ccccc1NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-2-21-11-18-20-15(21)13-7-3-4-8-14(13)19-16(22)12-6-5-9-17-10-12;/h3-4,7-8,11-12,17H,2,5-6,9-10H2,1H3,(H,19,22);1H
InChIKeyHNPBMAKDXDEVCG-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 43706685
3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide
CID 119733331
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 63007220
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119341252
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119286230
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536714
N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide
CID 119869983
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119295911
1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111840673
N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
CID 119302550

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119294822) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride is CCn1cnnc1-c1ccccc1NC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is HNPBMAKDXDEVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.ClH/c1-2-21-11-18-20-15(21)13-7-3-4-8-14(13)19-16(22)12-6-5-9-17-10-12;/h3-4,7-8,11-12,17H,2,5-6,9-10H2,1H3,(H,19,22);1H.
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119294822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).