(2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one

C23H29NO — CID 11013097

IUPAC(2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one
SMILESCC[C@@H]1C(=O)[C@H](CC)[C@@H](c2ccc(C)cc2)N[C@H]1c1ccc(C)cc1
InChIInChI=1S/C23H29NO/c1-5-19-21(17-11-7-15(3)8-12-17)24-22(20(6-2)23(19)25)18-13-9-16(4)10-14-18/h7-14,19-22,24H,5-6H2,1-4H3/t19-,20+,21-,22+
InChIKeyPTMUHDUTOLVVSH-COPRSSIGSA-N
MW335.49 g/mol
LogP5.31
Rot. Bonds4

About (2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one

(2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one (PubChem CID 11013097) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one.

Molecular Properties

Compound Name(2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one
PubChem CID11013097
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one
SMILESCC[C@@H]1C(=O)[C@H](CC)[C@@H](c2ccc(C)cc2)N[C@H]1c1ccc(C)cc1
InChIInChI=1S/C23H29NO/c1-5-19-21(17-11-7-15(3)8-12-17)24-22(20(6-2)23(19)25)18-13-9-16(4)10-14-18/h7-14,19-22,24H,5-6H2,1-4H3/t19-,20+,21-,22+
InChIKeyPTMUHDUTOLVVSH-COPRSSIGSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one with MolForge

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Related Compounds

3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one
CID 154224083
(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749
ethyl 2-[[(2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)-4-oxopiperidin-1-yl]methyl]prop-2-enoate
CID 10939259
(3S,4R)-3-(4-methylphenyl)-4-phenyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10891528
(2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one
CID 100836349
(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one
CID 98345871
4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one
CID 141453692
2,4,6,8-tetrakis(4-chlorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 4050078
7-ethyl-8-(iodomethyl)bicyclo[2.2.2]octa-1,3,5-triene
CID 137380230
3-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid
CID 82072113
diethyl (2R,3S,5R,6S)-4-oxo-2,6-diphenylpiperidine-3,5-dicarboxylate
CID 100887053
N-[3-ethyl-2,6-bis(4-nitrophenyl)piperidin-4-ylidene]hydroxylamine
CID 2870021

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one?
The IUPAC name of (2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one (CID 11013097) is (2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one.
What is the SMILES notation for (2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one?
The canonical SMILES for (2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one is CC[C@@H]1C(=O)[C@H](CC)[C@@H](c2ccc(C)cc2)N[C@H]1c1ccc(C)cc1.
What is the InChIKey of (2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one?
The InChIKey is PTMUHDUTOLVVSH-COPRSSIGSA-N. The full InChI is InChI=1S/C23H29NO/c1-5-19-21(17-11-7-15(3)8-12-17)24-22(20(6-2)23(19)25)18-13-9-16(4)10-14-18/h7-14,19-22,24H,5-6H2,1-4H3/t19-,20+,21-,22+.
What are the key properties of (2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one?
(2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one has a molecular weight of 335.49 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one is sourced from PubChem (CID 11013097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).