1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one

C14H16ClNO2 — CID 114501218

IUPAC1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one
SMILESCC1CN(CC(=O)c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C14H16ClNO2/c1-10-8-16(7-6-13(10)17)9-14(18)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyHKBZKMSUCHMYLN-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.43
Rot. Bonds3

About 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one

1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one (PubChem CID 114501218) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one
PubChem CID114501218
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one
SMILESCC1CN(CC(=O)c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C14H16ClNO2/c1-10-8-16(7-6-13(10)17)9-14(18)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyHKBZKMSUCHMYLN-UHFFFAOYSA-N
XLogP2.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500174
1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-methylpiperidin-4-one
CID 114501233
4-[(3-methyl-4-oxopiperidin-1-yl)methyl]benzoic acid
CID 114500404
1-(4-chlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanone
CID 103535548
1-[3-(4-chlorophenyl)prop-2-enyl]-3-methylpiperidin-4-one
CID 68799670
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421828
1-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170716
1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79506256
1-benzyl-3-methylpiperidin-4-one
CID 560965
1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61216135
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110358779
1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone
CID 62332508

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one (CID 114501218) is 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one is CC1CN(CC(=O)c2ccc(Cl)cc2)CCC1=O.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one?
The InChIKey is HKBZKMSUCHMYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10-8-16(7-6-13(10)17)9-14(18)11-2-4-12(15)5-3-11/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one?
1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one has a molecular weight of 265.74 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylpiperidin-4-one is sourced from PubChem (CID 114501218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).