3-decyl-1-methylpiperidin-2-one

C16H31NO — CID 175348950

IUPAC3-decyl-1-methylpiperidin-2-one
SMILESCCCCCCCCCCC1CCCN(C)C1=O
InChIInChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-17(2)16(15)18/h15H,3-14H2,1-2H3
InChIKeyYVDSLVZVCGXFCR-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.39
Rot. Bonds9

About 3-decyl-1-methylpiperidin-2-one

3-decyl-1-methylpiperidin-2-one (PubChem CID 175348950) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-decyl-1-methylpiperidin-2-one.

Molecular Properties

Compound Name3-decyl-1-methylpiperidin-2-one
PubChem CID175348950
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-decyl-1-methylpiperidin-2-one
SMILESCCCCCCCCCCC1CCCN(C)C1=O
InChIInChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-17(2)16(15)18/h15H,3-14H2,1-2H3
InChIKeyYVDSLVZVCGXFCR-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-dodecyl-1-propylpyrrolidin-2-one
CID 10149503
2-decylcyclopentan-1-one
CID 12823821
2-nonylcyclododecan-1-one
CID 14296722
(2R)-2-pentylcyclohexan-1-one
CID 86310435
3-dodecylpiperidin-2-one
CID 67992079
3-hexyl-1-methoxypiperidine-2,6-dione
CID 59172801
2-pentadecylcyclopropan-1-one
CID 70874004
3-pentylcyclohexane-1,2-dione
CID 67378390
carbon monoxide;cobalt;2-hexylcyclohexan-1-one
CID 134877528
(3S)-3-amino-1-methylpiperidin-2-one
CID 67416126
1-methyl-2-tetradecylpyrrolidine
CID 24796983
3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-one
CID 139892665

Frequently Asked Questions

What is the IUPAC name of 3-decyl-1-methylpiperidin-2-one?
The IUPAC name of 3-decyl-1-methylpiperidin-2-one (CID 175348950) is 3-decyl-1-methylpiperidin-2-one.
What is the SMILES notation for 3-decyl-1-methylpiperidin-2-one?
The canonical SMILES for 3-decyl-1-methylpiperidin-2-one is CCCCCCCCCCC1CCCN(C)C1=O.
What is the InChIKey of 3-decyl-1-methylpiperidin-2-one?
The InChIKey is YVDSLVZVCGXFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-17(2)16(15)18/h15H,3-14H2,1-2H3.
What are the key properties of 3-decyl-1-methylpiperidin-2-one?
3-decyl-1-methylpiperidin-2-one has a molecular weight of 253.43 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-1-methylpiperidin-2-one is sourced from PubChem (CID 175348950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).