(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one

C24H27Cl2NO — CID 58573468

IUPAC(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one
SMILESCC1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(C2CC[C@H](C)C2)C1=O
InChIInChI=1S/C24H27Cl2NO/c1-15-6-11-21(12-15)27-23(17-7-9-19(25)10-8-17)22(13-16(2)24(27)28)18-4-3-5-20(26)14-18/h3-5,7-10,14-16,21-23H,6,11-13H2,1-2H3/t15-,16?,21?,22+,23+/m0/s1
InChIKeyGFPVAYXWHPTTOE-DNNOWONTSA-N
MW416.39 g/mol
LogP6.88
Rot. Bonds3

About (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one

(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one (PubChem CID 58573468) has the molecular formula C24H27Cl2NO and a molecular weight of 416.39 g/mol. Its IUPAC name is (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one
PubChem CID58573468
Molecular FormulaC24H27Cl2NO
Molecular Weight416.39 g/mol
Exact Mass415.15
IUPAC Name(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one
SMILESCC1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(C2CC[C@H](C)C2)C1=O
InChIInChI=1S/C24H27Cl2NO/c1-15-6-11-21(12-15)27-23(17-7-9-19(25)10-8-17)22(13-16(2)24(27)28)18-4-3-5-20(26)14-18/h3-5,7-10,14-16,21-23H,6,11-13H2,1-2H3/t15-,16?,21?,22+,23+/m0/s1
InChIKeyGFPVAYXWHPTTOE-DNNOWONTSA-N
XLogP6.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.39
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one
CID 58573450
5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one
CID 70644681
5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-prop-2-enylpiperidin-2-one
CID 141326913
5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one
CID 138642037
(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
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
CID 83243762
2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-cyclobutyl-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 67998943
2-[(3R,5R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]-N-hydroxyacetamide
CID 58573160
2-[(3R,5R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid
CID 58573344
tert-butyl-[(1R,3S)-3-[3-(3-chlorophenyl)-2-(4-chlorophenyl)piperidin-1-yl]cyclopentyl]oxy-dimethylsilane
CID 89482142

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one?
The IUPAC name of (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one (CID 58573468) is (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one.
What is the SMILES notation for (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one?
The canonical SMILES for (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one is CC1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(C2CC[C@H](C)C2)C1=O.
What is the InChIKey of (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one?
The InChIKey is GFPVAYXWHPTTOE-DNNOWONTSA-N. The full InChI is InChI=1S/C24H27Cl2NO/c1-15-6-11-21(12-15)27-23(17-7-9-19(25)10-8-17)22(13-16(2)24(27)28)18-4-3-5-20(26)14-18/h3-5,7-10,14-16,21-23H,6,11-13H2,1-2H3/t15-,16?,21?,22+,23+/m0/s1.
What are the key properties of (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one?
(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one has a molecular weight of 416.39 g/mol, XLogP of 6.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one is sourced from PubChem (CID 58573468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).