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

C26H24Cl2N2O — CID 169323219

IUPAC(6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one
SMILESO=C1CCC(c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1[C@@H](c1ccccn1)C1CC1
InChIInChI=1S/C26H24Cl2N2O/c27-20-11-9-17(10-12-20)25-22(19-4-3-5-21(28)16-19)13-14-24(31)30(25)26(18-7-8-18)23-6-1-2-15-29-23/h1-6,9-12,15-16,18,22,25-26H,7-8,13-14H2/t22?,25-,26-/m1/s1
InChIKeyOLRTUCLZQYQOFP-FLZRTACHSA-N
MW451.40 g/mol
LogP6.99
Rot. Bonds5

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

(6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one (PubChem CID 169323219) has the molecular formula C26H24Cl2N2O and a molecular weight of 451.40 g/mol. Its IUPAC name is (6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name(6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one
PubChem CID169323219
Molecular FormulaC26H24Cl2N2O
Molecular Weight451.40 g/mol
Exact Mass450.13
IUPAC Name(6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one
SMILESO=C1CCC(c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1[C@@H](c1ccccn1)C1CC1
InChIInChI=1S/C26H24Cl2N2O/c27-20-11-9-17(10-12-20)25-22(19-4-3-5-21(28)16-19)13-14-24(31)30(25)26(18-7-8-18)23-6-1-2-15-29-23/h1-6,9-12,15-16,18,22,25-26H,7-8,13-14H2/t22?,25-,26-/m1/s1
InChIKeyOLRTUCLZQYQOFP-FLZRTACHSA-N
XLogP6.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.40
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[cyclopropyl(pyridin-2-yl)methyl]-3-methyl-3-prop-2-enylpiperidin-2-one
CID 67998514
5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one
CID 138642037
(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
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
5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one
CID 70644681
6-(4-chlorophenyl)-1-[cyclopropyl(pyridin-2-yl)methyl]-3-methyl-3-prop-2-enylpiperidin-2-one
CID 167215651
(5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one
CID 89482128
(2S)-2-[(2S,3R)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-6-oxopiperidin-1-yl]-2-ethyl-3,3-dimethylbutanoic acid
CID 175123757
(2S)-2-[(6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylacetaldehyde
CID 154430540
2-[(3R,5R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 58573623
(5S,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)oxan-2-one
CID 129153630
(3R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-iodo-3-prop-2-enylpiperidin-2-one
CID 70644558

Frequently Asked Questions

What is the IUPAC name of (6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one?
The IUPAC name of (6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one (CID 169323219) is (6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one.
What is the SMILES notation for (6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one?
The canonical SMILES for (6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one is O=C1CCC(c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1[C@@H](c1ccccn1)C1CC1.
What is the InChIKey of (6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one?
The InChIKey is OLRTUCLZQYQOFP-FLZRTACHSA-N. The full InChI is InChI=1S/C26H24Cl2N2O/c27-20-11-9-17(10-12-20)25-22(19-4-3-5-21(28)16-19)13-14-24(31)30(25)26(18-7-8-18)23-6-1-2-15-29-23/h1-6,9-12,15-16,18,22,25-26H,7-8,13-14H2/t22?,25-,26-/m1/s1.
What are the key properties of (6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one?
(6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one has a molecular weight of 451.40 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one is sourced from PubChem (CID 169323219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).