N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride

C14H21ClN2O — CID 119265832

IUPACN-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
SMILESCCc1ccccc1NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-2-11-6-3-4-8-13(11)16-14(17)12-7-5-9-15-10-12;/h3-4,6,8,12,15H,2,5,7,9-10H2,1H3,(H,16,17);1H
InChIKeyLLOKPSIVNWMIDG-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.61
Rot. Bonds3

About N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride

N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119265832) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119265832
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
SMILESCCc1ccccc1NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-2-11-6-3-4-8-13(11)16-14(17)12-7-5-9-15-10-12;/h3-4,6,8,12,15H,2,5,7,9-10H2,1H3,(H,16,17);1H
InChIKeyLLOKPSIVNWMIDG-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 81124526
N-[2-(phenoxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119299182
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
N-(2-benzamidophenyl)piperidine-3-carboxamide;hydrochloride
CID 119282577
N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
(3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 81118453
N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 63007076
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740
N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
CID 119302550

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride (CID 119265832) is N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride is CCc1ccccc1NC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is LLOKPSIVNWMIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-2-11-6-3-4-8-13(11)16-14(17)12-7-5-9-15-10-12;/h3-4,6,8,12,15H,2,5,7,9-10H2,1H3,(H,16,17);1H.
What are the key properties of N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride?
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119265832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).