1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one

C13H21NO2 — CID 104751665

IUPAC1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one
SMILESCC1CCCN(CC(=O)C2CCCC2)C1=O
InChIInChI=1S/C13H21NO2/c1-10-5-4-8-14(13(10)16)9-12(15)11-6-2-3-7-11/h10-11H,2-9H2,1H3
InChIKeyKSYXIELMXSQOIP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.00
Rot. Bonds3

About 1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one

1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one (PubChem CID 104751665) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one
PubChem CID104751665
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one
SMILESCC1CCCN(CC(=O)C2CCCC2)C1=O
InChIInChI=1S/C13H21NO2/c1-10-5-4-8-14(13(10)16)9-12(15)11-6-2-3-7-11/h10-11H,2-9H2,1H3
InChIKeyKSYXIELMXSQOIP-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate
CID 104679887
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one
CID 103073008
2-(2-cyclopentyl-2-oxoethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 113448954
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione
CID 104751309
3-(3-methyl-2-oxopiperidin-1-yl)propanethioamide
CID 104680130
2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679897
5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid
CID 104679844
2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872
3-methyl-1-(2-oxobutyl)pyrrolidin-2-one
CID 130986072
4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide
CID 104680132

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one?
The IUPAC name of 1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one (CID 104751665) is 1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one.
What is the SMILES notation for 1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one?
The canonical SMILES for 1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one is CC1CCCN(CC(=O)C2CCCC2)C1=O.
What is the InChIKey of 1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one?
The InChIKey is KSYXIELMXSQOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-5-4-8-14(13(10)16)9-12(15)11-6-2-3-7-11/h10-11H,2-9H2,1H3.
What are the key properties of 1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one?
1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one is sourced from PubChem (CID 104751665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).