N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide

C16H22N2O2 — CID 103196880

IUPACN-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(=O)c2ccccc2C)C1
InChIInChI=1S/C16H22N2O2/c1-12-6-3-4-8-14(12)15(19)11-18-9-5-7-13(10-18)16(20)17-2/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,17,20)
InChIKeyUKMJVODUGJRMQP-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.64
Rot. Bonds4

About N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide

N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 103196880) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID103196880
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(=O)c2ccccc2C)C1
InChIInChI=1S/C16H22N2O2/c1-12-6-3-4-8-14(12)15(19)11-18-9-5-7-13(10-18)16(20)17-2/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,17,20)
InChIKeyUKMJVODUGJRMQP-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone
CID 43797125
N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 113234331
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 103196893
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone
CID 63622437
1-[3-(2-fluorophenyl)-2-oxopropyl]-N-methylpiperidine-3-carboxamide
CID 103196911
1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 136534264
2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone
CID 63610775
1-(2-methylphenyl)-2-(4-methylsulfanylazepan-1-yl)ethanone
CID 114237550
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854324

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide (CID 103196880) is N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide is CNC(=O)C1CCCN(CC(=O)c2ccccc2C)C1.
What is the InChIKey of N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is UKMJVODUGJRMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-6-3-4-8-14(12)15(19)11-18-9-5-7-13(10-18)16(20)17-2/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,17,20).
What are the key properties of N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide?
N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 103196880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).