1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone

C18H25NO — CID 101401829

IUPAC1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone
SMILESC=C1N(c2c(C)cc(C)cc2C)CCC[C@]1(C)C(C)=O
InChIInChI=1S/C18H25NO/c1-12-10-13(2)17(14(3)11-12)19-9-7-8-18(6,15(19)4)16(5)20/h10-11H,4,7-9H2,1-3,5-6H3/t18-/m0/s1
InChIKeyXYBZBCGLZRNXBS-SFHVURJKSA-N
MW271.40 g/mol
LogP4.32
Rot. Bonds2

About 1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone

1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone (PubChem CID 101401829) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone
PubChem CID101401829
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone
SMILESC=C1N(c2c(C)cc(C)cc2C)CCC[C@]1(C)C(C)=O
InChIInChI=1S/C18H25NO/c1-12-10-13(2)17(14(3)11-12)19-9-7-8-18(6,15(19)4)16(5)20/h10-11H,4,7-9H2,1-3,5-6H3/t18-/m0/s1
InChIKeyXYBZBCGLZRNXBS-SFHVURJKSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone (CID 101401829) is 1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone is C=C1N(c2c(C)cc(C)cc2C)CCC[C@]1(C)C(C)=O.
What is the InChIKey of 1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone?
The InChIKey is XYBZBCGLZRNXBS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25NO/c1-12-10-13(2)17(14(3)11-12)19-9-7-8-18(6,15(19)4)16(5)20/h10-11H,4,7-9H2,1-3,5-6H3/t18-/m0/s1.
What are the key properties of 1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone?
1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone has a molecular weight of 271.40 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methyl-2-methylidene-1-(2,4,6-trimethylphenyl)piperidin-3-yl]ethanone is sourced from PubChem (CID 101401829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).