N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide

C16H24N2O — CID 119327095

IUPACN-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1cccc(C(C)NC(=O)C2CCNCC2)c1C
InChIInChI=1S/C16H24N2O/c1-11-5-4-6-15(12(11)2)13(3)18-16(19)14-7-9-17-10-8-14/h4-6,13-14,17H,7-10H2,1-3H3,(H,18,19)
InChIKeyCQFKTPGYERPKSK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.48
Rot. Bonds3

About N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide

N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 119327095) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID119327095
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1cccc(C(C)NC(=O)C2CCNCC2)c1C
InChIInChI=1S/C16H24N2O/c1-11-5-4-6-15(12(11)2)13(3)18-16(19)14-7-9-17-10-8-14/h4-6,13-14,17H,7-10H2,1-3H3,(H,18,19)
InChIKeyCQFKTPGYERPKSK-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120633740
N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43701759
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride
CID 119323124
N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
CID 43703441
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-[1-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 43535349
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 120793696
3-[1-(2,3-dimethylphenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 119133873
1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119789718

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide (CID 119327095) is N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide is Cc1cccc(C(C)NC(=O)C2CCNCC2)c1C.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is CQFKTPGYERPKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-5-4-6-15(12(11)2)13(3)18-16(19)14-7-9-17-10-8-14/h4-6,13-14,17H,7-10H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide?
N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119327095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).