3-(2-oxopiperidin-4-yl)piperidin-2-one

C10H16N2O2 — CID 118294795

IUPAC3-(2-oxopiperidin-4-yl)piperidin-2-one
SMILESO=C1CC(C2CCCNC2=O)CCN1
InChIInChI=1S/C10H16N2O2/c13-9-6-7(3-5-11-9)8-2-1-4-12-10(8)14/h7-8H,1-6H2,(H,11,13)(H,12,14)
InChIKeyMXXPBWVRRCHNGG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.04
Rot. Bonds1

About 3-(2-oxopiperidin-4-yl)piperidin-2-one

3-(2-oxopiperidin-4-yl)piperidin-2-one (PubChem CID 118294795) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(2-oxopiperidin-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(2-oxopiperidin-4-yl)piperidin-2-one
PubChem CID118294795
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(2-oxopiperidin-4-yl)piperidin-2-one
SMILESO=C1CC(C2CCCNC2=O)CCN1
InChIInChI=1S/C10H16N2O2/c13-9-6-7(3-5-11-9)8-2-1-4-12-10(8)14/h7-8H,1-6H2,(H,11,13)(H,12,14)
InChIKeyMXXPBWVRRCHNGG-UHFFFAOYSA-N
XLogP0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-oxopiperidin-4-yl)piperidin-2-one
CID 66803450
(3S)-3-cyclohexylpiperidin-2-one
CID 124514859
4-cyclopentylpiperidin-2-one
CID 75132410
4-cyclopropylpiperidin-2-one
CID 75132317
3-cyclobutylpyrrolidin-2-one
CID 105428038
3-(4-ethylcyclohexyl)piperidin-2-one
CID 104679227
(4R)-4-methylazepan-2-one
CID 12689799
(4R)-4-aminoazepan-2-one
CID 18648126
3-(3,5-dimethylcyclohexyl)azepan-2-one
CID 104679675
(3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one
CID 178194652
(1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one
CID 146300108
3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one
CID 104679174

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopiperidin-4-yl)piperidin-2-one?
The IUPAC name of 3-(2-oxopiperidin-4-yl)piperidin-2-one (CID 118294795) is 3-(2-oxopiperidin-4-yl)piperidin-2-one.
What is the SMILES notation for 3-(2-oxopiperidin-4-yl)piperidin-2-one?
The canonical SMILES for 3-(2-oxopiperidin-4-yl)piperidin-2-one is O=C1CC(C2CCCNC2=O)CCN1.
What is the InChIKey of 3-(2-oxopiperidin-4-yl)piperidin-2-one?
The InChIKey is MXXPBWVRRCHNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-9-6-7(3-5-11-9)8-2-1-4-12-10(8)14/h7-8H,1-6H2,(H,11,13)(H,12,14).
What are the key properties of 3-(2-oxopiperidin-4-yl)piperidin-2-one?
3-(2-oxopiperidin-4-yl)piperidin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopiperidin-4-yl)piperidin-2-one is sourced from PubChem (CID 118294795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).