N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide

C16H24N2O — CID 82132898

IUPACN-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1cccc(CCN(C)C(=O)C2CCCNC2)c1
InChIInChI=1S/C16H24N2O/c1-13-5-3-6-14(11-13)8-10-18(2)16(19)15-7-4-9-17-12-15/h3,5-6,11,15,17H,4,7-10,12H2,1-2H3
InChIKeyWWCMLKIXZYPZTP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.00
Rot. Bonds4

About N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide

N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 82132898) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID82132898
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1cccc(CCN(C)C(=O)C2CCCNC2)c1
InChIInChI=1S/C16H24N2O/c1-13-5-3-6-14(11-13)8-10-18(2)16(19)15-7-4-9-17-12-15/h3,5-6,11,15,17H,4,7-10,12H2,1-2H3
InChIKeyWWCMLKIXZYPZTP-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 60938004
(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81126354
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-piperidin-3-ylmethanone
CID 119832310
N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 50988968
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119311461
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide
CID 115159936
N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62690046
N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119345501
(3S)-N-methyl-N-pentylpiperidine-3-carboxamide
CID 81123765
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 81129333

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide (CID 82132898) is N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide is Cc1cccc(CCN(C)C(=O)C2CCCNC2)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is WWCMLKIXZYPZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-5-3-6-14(11-13)8-10-18(2)16(19)15-7-4-9-17-12-15/h3,5-6,11,15,17H,4,7-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide?
N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 82132898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).