3-dodecylpiperidin-2-one

C17H33NO — CID 67992079

IUPAC3-dodecylpiperidin-2-one
SMILESCCCCCCCCCCCCC1CCCNC1=O
InChIInChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-18-17(16)19/h16H,2-15H2,1H3,(H,18,19)
InChIKeyYNGWCDYYBQFMFU-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.82
Rot. Bonds11

About 3-dodecylpiperidin-2-one

3-dodecylpiperidin-2-one (PubChem CID 67992079) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-dodecylpiperidin-2-one.

Molecular Properties

Compound Name3-dodecylpiperidin-2-one
PubChem CID67992079
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name3-dodecylpiperidin-2-one
SMILESCCCCCCCCCCCCC1CCCNC1=O
InChIInChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-18-17(16)19/h16H,2-15H2,1H3,(H,18,19)
InChIKeyYNGWCDYYBQFMFU-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-hydroxypentyl)azepan-2-one
CID 104679507
3-decanoylpiperidin-2-one
CID 23204992
2-decylcyclopentan-1-one
CID 12823821
3-(dodecylamino)piperidin-2-one
CID 63492267
3-pentylcyclohexane-1,2-dione
CID 67378390
3-(5-hydroxypentyl)pyrrolidin-2-one
CID 104679269
(3R)-3-[2-(4-octylphenyl)-2-oxoethyl]piperidin-2-one
CID 160867179
2-nonylcyclododecan-1-one
CID 14296722
3-(pentylamino)piperidin-2-one
CID 62093756
(3S)-3-(methoxymethyl)piperidin-2-one
CID 54226516
3-[(dimethylamino)methyl]piperidin-2-one
CID 152616281
(2R)-2-pentylcyclohexan-1-one
CID 86310435

Frequently Asked Questions

What is the IUPAC name of 3-dodecylpiperidin-2-one?
The IUPAC name of 3-dodecylpiperidin-2-one (CID 67992079) is 3-dodecylpiperidin-2-one.
What is the SMILES notation for 3-dodecylpiperidin-2-one?
The canonical SMILES for 3-dodecylpiperidin-2-one is CCCCCCCCCCCCC1CCCNC1=O.
What is the InChIKey of 3-dodecylpiperidin-2-one?
The InChIKey is YNGWCDYYBQFMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-18-17(16)19/h16H,2-15H2,1H3,(H,18,19).
What are the key properties of 3-dodecylpiperidin-2-one?
3-dodecylpiperidin-2-one has a molecular weight of 267.46 g/mol, XLogP of 4.82, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecylpiperidin-2-one is sourced from PubChem (CID 67992079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).