(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one

C24H23NO — CID 11909630

IUPAC(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one
SMILESCN1[C@H](c2ccccc2)CC(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H23NO/c1-25-21(18-11-5-2-6-12-18)17-22(26)23(19-13-7-3-8-14-19)24(25)20-15-9-4-10-16-20/h2-16,21,23-24H,17H2,1H3/t21-,23-,24-/m0/s1
InChIKeyOOWZAYCDGJZCBD-XWGVYQGASA-N
MW341.45 g/mol
LogP5.16
Rot. Bonds3

About (2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one

(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one (PubChem CID 11909630) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is (2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one.

Molecular Properties

Compound Name(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one
PubChem CID11909630
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one
SMILESCN1[C@H](c2ccccc2)CC(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H23NO/c1-25-21(18-11-5-2-6-12-18)17-22(26)23(19-13-7-3-8-14-19)24(25)20-15-9-4-10-16-20/h2-16,21,23-24H,17H2,1H3/t21-,23-,24-/m0/s1
InChIKeyOOWZAYCDGJZCBD-XWGVYQGASA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

(2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one
CID 11894627
(NZ)-N-[(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-ylidene]hydroxylamine
CID 11894630
N-[(2R,3R,6S)-1-methyl-4-oxo-2,6-diphenylpiperidin-3-yl]acetamide
CID 95907396
2,6-bis(4-chlorophenyl)-1-nitroso-3-phenylpiperidin-4-one
CID 56683426
1-chloro-3-methyl-2,6-diphenylpiperidin-4-one
CID 13185093
(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
CID 122372873
cis-(2S,3S)-3-tert-butyl-2-phenylcyclobutan-1-one
CID 101134635
1-methyl-6-phenylpiperidine-2,4-dione
CID 10035783
N-[(2S,6R)-1-methyl-2,6-diphenylpiperidin-4-ylidene]hydroxylamine
CID 873157
1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 2729803
(2R,3S,4S,6S)-1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 6541757
1,2,2-trimethyl-5-phenylpyrrolidin-3-one
CID 6420665

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one?
The IUPAC name of (2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one (CID 11909630) is (2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one.
What is the SMILES notation for (2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one?
The canonical SMILES for (2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one is CN1[C@H](c2ccccc2)CC(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one?
The InChIKey is OOWZAYCDGJZCBD-XWGVYQGASA-N. The full InChI is InChI=1S/C24H23NO/c1-25-21(18-11-5-2-6-12-18)17-22(26)23(19-13-7-3-8-14-19)24(25)20-15-9-4-10-16-20/h2-16,21,23-24H,17H2,1H3/t21-,23-,24-/m0/s1.
What are the key properties of (2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one?
(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one has a molecular weight of 341.45 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one is sourced from PubChem (CID 11909630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).