(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one

C23H25Cl2NO2 — CID 58573450

IUPAC(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one
SMILESCC1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(C2CCCOC2)C1=O
InChIInChI=1S/C23H25Cl2NO2/c1-15-12-21(17-4-2-5-19(25)13-17)22(16-7-9-18(24)10-8-16)26(23(15)27)20-6-3-11-28-14-20/h2,4-5,7-10,13,15,20-22H,3,6,11-12,14H2,1H3/t15?,20?,21-,22-/m1/s1
InChIKeyCBMNIXDWQGBKSL-NZJZBPMUSA-N
MW418.36 g/mol
LogP5.87
Rot. Bonds3

About (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one

(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one (PubChem CID 58573450) has the molecular formula C23H25Cl2NO2 and a molecular weight of 418.36 g/mol. Its IUPAC name is (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one
PubChem CID58573450
Molecular FormulaC23H25Cl2NO2
Molecular Weight418.36 g/mol
Exact Mass417.13
IUPAC Name(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one
SMILESCC1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(C2CCCOC2)C1=O
InChIInChI=1S/C23H25Cl2NO2/c1-15-12-21(17-4-2-5-19(25)13-17)22(16-7-9-18(24)10-8-16)26(23(15)27)20-6-3-11-28-14-20/h2,4-5,7-10,13,15,20-22H,3,6,11-12,14H2,1H3/t15?,20?,21-,22-/m1/s1
InChIKeyCBMNIXDWQGBKSL-NZJZBPMUSA-N
XLogP5.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.36
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one
CID 58573468
2-[(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3R)-oxan-3-yl]-2-oxopiperidin-3-yl]acetic acid
CID 67998355
6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one
CID 138641611
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
2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-cyclobutyl-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 67998943
(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
(3R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-2-one
CID 70644313
N-[2-[(2S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-5-methyl-6-oxopiperidin-1-yl]butyl]-N-methylcyclopropanesulfonamide
CID 163821619
5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one
CID 138642037
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
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-(oxan-3-yl)piperidin-2-one?
The IUPAC name of (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one (CID 58573450) is (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one.
What is the SMILES notation for (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one?
The canonical SMILES for (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one is CC1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(C2CCCOC2)C1=O.
What is the InChIKey of (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one?
The InChIKey is CBMNIXDWQGBKSL-NZJZBPMUSA-N. The full InChI is InChI=1S/C23H25Cl2NO2/c1-15-12-21(17-4-2-5-19(25)13-17)22(16-7-9-18(24)10-8-16)26(23(15)27)20-6-3-11-28-14-20/h2,4-5,7-10,13,15,20-22H,3,6,11-12,14H2,1H3/t15?,20?,21-,22-/m1/s1.
What are the key properties of (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one?
(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one has a molecular weight of 418.36 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one is sourced from PubChem (CID 58573450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).