1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide

C15H20N2O2 — CID 60680985

IUPAC1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide
SMILESCc1ccc(C(=O)CN2CCCCC2C(N)=O)cc1
InChIInChI=1S/C15H20N2O2/c1-11-5-7-12(8-6-11)14(18)10-17-9-3-2-4-13(17)15(16)19/h5-8,13H,2-4,9-10H2,1H3,(H2,16,19)
InChIKeyIPGHLTQZBAUXPU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.52
Rot. Bonds4

About 1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide

1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 60680985) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide
PubChem CID60680985
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide
SMILESCc1ccc(C(=O)CN2CCCCC2C(N)=O)cc1
InChIInChI=1S/C15H20N2O2/c1-11-5-7-12(8-6-11)14(18)10-17-9-3-2-4-13(17)15(16)19/h5-8,13H,2-4,9-10H2,1H3,(H2,16,19)
InChIKeyIPGHLTQZBAUXPU-UHFFFAOYSA-N
XLogP1.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 60680989
1-phenacylpiperidine-2-carboxamide
CID 60681003
1-[2-(4-methylphenyl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 16770156
1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperidine-2-carboxamide
CID 60681090
2-[2-(hydroxymethyl)azepan-1-yl]-1-(4-methylphenyl)ethanone
CID 116635378
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanone
CID 62036905
1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid
CID 82224047
1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide
CID 60677071
1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 60680965
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62035887
(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide
CID 41292691
1-[2-(2-ethoxyphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 62037237

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide (CID 60680985) is 1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide is Cc1ccc(C(=O)CN2CCCCC2C(N)=O)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is IPGHLTQZBAUXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-5-7-12(8-6-11)14(18)10-17-9-3-2-4-13(17)15(16)19/h5-8,13H,2-4,9-10H2,1H3,(H2,16,19).
What are the key properties of 1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide?
1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 60680985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).