3-pentan-2-ylpiperidin-2-one

C10H19NO — CID 107889853

IUPAC3-pentan-2-ylpiperidin-2-one
SMILESCCCC(C)C1CCCNC1=O
InChIInChI=1S/C10H19NO/c1-3-5-8(2)9-6-4-7-11-10(9)12/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyJBUGTOFIHRMBBD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.95
Rot. Bonds3

About 3-pentan-2-ylpiperidin-2-one

3-pentan-2-ylpiperidin-2-one (PubChem CID 107889853) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-pentan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name3-pentan-2-ylpiperidin-2-one
PubChem CID107889853
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-pentan-2-ylpiperidin-2-one
SMILESCCCC(C)C1CCCNC1=O
InChIInChI=1S/C10H19NO/c1-3-5-8(2)9-6-4-7-11-10(9)12/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyJBUGTOFIHRMBBD-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(pentan-2-ylamino)piperidin-2-one
CID 62092466
(3R)-3-[(1R)-1-aminopropyl]azepan-2-one
CID 7047455
3-(1-amino-3-methylbutan-2-yl)piperidin-2-one
CID 83876452
[(1R)-1-[(3R)-2-oxoazepan-3-yl]propyl]azanium
CID 7047454
3-(1-aminoethyl)azepan-2-one
CID 2837704
3-tridecan-7-ylpyrrolidin-2-one
CID 167077017
3-(1-aminoethyl)azocan-2-one
CID 23959350
3-(hexan-2-ylamino)piperidin-2-one
CID 62094120
(2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one
CID 134922520
3-(undecan-6-ylamino)piperidin-2-one
CID 55033580
(2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one
CID 134987764
3-but-3-en-2-ylazepan-2-one
CID 104679572

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-ylpiperidin-2-one?
The IUPAC name of 3-pentan-2-ylpiperidin-2-one (CID 107889853) is 3-pentan-2-ylpiperidin-2-one.
What is the SMILES notation for 3-pentan-2-ylpiperidin-2-one?
The canonical SMILES for 3-pentan-2-ylpiperidin-2-one is CCCC(C)C1CCCNC1=O.
What is the InChIKey of 3-pentan-2-ylpiperidin-2-one?
The InChIKey is JBUGTOFIHRMBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-8(2)9-6-4-7-11-10(9)12/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-pentan-2-ylpiperidin-2-one?
3-pentan-2-ylpiperidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-ylpiperidin-2-one is sourced from PubChem (CID 107889853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).