5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one

C27H28Cl2N2O — CID 138642037

IUPAC5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one
SMILESCCC[C@@H](c1ccccn1)N1C(=O)C(C)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C27H28Cl2N2O/c1-3-7-25(24-10-4-5-15-30-24)31-26(19-11-13-21(28)14-12-19)23(16-18(2)27(31)32)20-8-6-9-22(29)17-20/h4-6,8-15,17-18,23,25-26H,3,7,16H2,1-2H3/t18?,23?,25-,26?/m0/s1
InChIKeyRFCHCOWMUDKHMC-GIUSPJSOSA-N
MW467.44 g/mol
LogP7.62
Rot. Bonds6

About 5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one

5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one (PubChem CID 138642037) has the molecular formula C27H28Cl2N2O and a molecular weight of 467.44 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one
PubChem CID138642037
Molecular FormulaC27H28Cl2N2O
Molecular Weight467.44 g/mol
Exact Mass466.16
IUPAC Name5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one
SMILESCCC[C@@H](c1ccccn1)N1C(=O)C(C)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C27H28Cl2N2O/c1-3-7-25(24-10-4-5-15-30-24)31-26(19-11-13-21(28)14-12-19)23(16-18(2)27(31)32)20-8-6-9-22(29)17-20/h4-6,8-15,17-18,23,25-26H,3,7,16H2,1-2H3/t18?,23?,25-,26?/m0/s1
InChIKeyRFCHCOWMUDKHMC-GIUSPJSOSA-N
XLogP7.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.44
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one
CID 70644681
(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one
CID 70644591
(6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one
CID 169323219
(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-2-deuterio-3-methyl-1-propan-2-ylsulfonylbutyl]-3-methylpiperidin-2-one
CID 175893562
N-[2-[(2S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-5-methyl-6-oxopiperidin-1-yl]butyl]-N-methylcyclopropanesulfonamide
CID 163821619
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1R)-2-methyl-1-pyridin-2-ylpropyl]-2-oxopiperidin-3-yl]acetic acid
CID 58573848
(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one
CID 58573468
5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-prop-2-enylpiperidin-2-one
CID 141326913
(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[cyclopropyl(pyridin-2-yl)methyl]-3-methyl-3-prop-2-enylpiperidin-2-one
CID 67998514
(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidine-3-carboxylic acid
CID 102456658
[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[1-(ethylamino)-1-oxobutan-2-yl]-2-oxopiperidin-3-yl]acetyl] 2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxo-1-(1-pyridin-2-ylpentan-3-yl)piperidin-3-yl]acetate
CID 123465572
2-[(3R,5R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]-2-oxopiperidin-3-yl]acetic acid
CID 58573448

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one?
The IUPAC name of 5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one (CID 138642037) is 5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one is CCC[C@@H](c1ccccn1)N1C(=O)C(C)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one?
The InChIKey is RFCHCOWMUDKHMC-GIUSPJSOSA-N. The full InChI is InChI=1S/C27H28Cl2N2O/c1-3-7-25(24-10-4-5-15-30-24)31-26(19-11-13-21(28)14-12-19)23(16-18(2)27(31)32)20-8-6-9-22(29)17-20/h4-6,8-15,17-18,23,25-26H,3,7,16H2,1-2H3/t18?,23?,25-,26?/m0/s1.
What are the key properties of 5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one?
5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one has a molecular weight of 467.44 g/mol, XLogP of 7.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one is sourced from PubChem (CID 138642037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).