3-decanoylpiperidin-2-one

C15H27NO2 — CID 23204992

IUPAC3-decanoylpiperidin-2-one
SMILESCCCCCCCCCC(=O)C1CCCNC1=O
InChIInChI=1S/C15H27NO2/c1-2-3-4-5-6-7-8-11-14(17)13-10-9-12-16-15(13)18/h13H,2-12H2,1H3,(H,16,18)
InChIKeyOLDXODLIOAKDPY-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.22
Rot. Bonds9

About 3-decanoylpiperidin-2-one

3-decanoylpiperidin-2-one (PubChem CID 23204992) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-decanoylpiperidin-2-one.

Molecular Properties

Compound Name3-decanoylpiperidin-2-one
PubChem CID23204992
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-decanoylpiperidin-2-one
SMILESCCCCCCCCCC(=O)C1CCCNC1=O
InChIInChI=1S/C15H27NO2/c1-2-3-4-5-6-7-8-11-14(17)13-10-9-12-16-15(13)18/h13H,2-12H2,1H3,(H,16,18)
InChIKeyOLDXODLIOAKDPY-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-nonanoylazepan-2-one
CID 21226503
3-butanoylazepan-2-one
CID 18359756
(3S)-3-undec-10-enoylpiperidin-2-one
CID 66893406
2-tridecanoylcyclopentan-1-one
CID 59066894
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
3-dodecylpiperidin-2-one
CID 67992079
(4S)-4-hexadec-9-enoylazepan-2-one
CID 91367749
1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
3-(dodecylamino)piperidin-2-one
CID 63492267
1-piperidin-3-ylnonan-1-one
CID 116547942
(3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide
CID 154298627
3-(pentylamino)piperidin-2-one
CID 62093756

Frequently Asked Questions

What is the IUPAC name of 3-decanoylpiperidin-2-one?
The IUPAC name of 3-decanoylpiperidin-2-one (CID 23204992) is 3-decanoylpiperidin-2-one.
What is the SMILES notation for 3-decanoylpiperidin-2-one?
The canonical SMILES for 3-decanoylpiperidin-2-one is CCCCCCCCCC(=O)C1CCCNC1=O.
What is the InChIKey of 3-decanoylpiperidin-2-one?
The InChIKey is OLDXODLIOAKDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-3-4-5-6-7-8-11-14(17)13-10-9-12-16-15(13)18/h13H,2-12H2,1H3,(H,16,18).
What are the key properties of 3-decanoylpiperidin-2-one?
3-decanoylpiperidin-2-one has a molecular weight of 253.39 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decanoylpiperidin-2-one is sourced from PubChem (CID 23204992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).