5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one

C25H27Cl2NO — CID 70644681

IUPAC5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one
SMILESCC1CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(C2CC2)C2CC2)C1=O
InChIInChI=1S/C25H27Cl2NO/c1-15-13-22(19-3-2-4-21(27)14-19)24(18-9-11-20(26)12-10-18)28(25(15)29)23(16-5-6-16)17-7-8-17/h2-4,9-12,14-17,22-24H,5-8,13H2,1H3
InChIKeyPYYLORHMSCHDKG-UHFFFAOYSA-N
MW428.40 g/mol
LogP6.88
Rot. Bonds5

About 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one

5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one (PubChem CID 70644681) has the molecular formula C25H27Cl2NO and a molecular weight of 428.40 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one
PubChem CID70644681
Molecular FormulaC25H27Cl2NO
Molecular Weight428.40 g/mol
Exact Mass427.15
IUPAC Name5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one
SMILESCC1CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(C2CC2)C2CC2)C1=O
InChIInChI=1S/C25H27Cl2NO/c1-15-13-22(19-3-2-4-21(27)14-19)24(18-9-11-20(26)12-10-18)28(25(15)29)23(16-5-6-16)17-7-8-17/h2-4,9-12,14-17,22-24H,5-8,13H2,1H3
InChIKeyPYYLORHMSCHDKG-UHFFFAOYSA-N
XLogP6.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.40
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(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
(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(3S)-3-methylcyclopentyl]piperidin-2-one
CID 58573468
N-[2-[(2S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-5-methyl-6-oxopiperidin-1-yl]butyl]-N-methylcyclopropanesulfonamide
CID 163821619
2-[(3R,5R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
CID 58573623
5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(1S)-1-pyridin-2-ylbutyl]piperidin-2-one
CID 138642037
5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-prop-2-enylpiperidin-2-one
CID 141326913
(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one
CID 58573450
(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-hydroxybutan-2-yl)-2-oxopiperidin-3-yl]acetic acid
CID 67999748
(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(1-hydroxybutan-2-yl)-3-prop-2-enylpiperidin-2-one
CID 67998288
(6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(R)-cyclopropyl(pyridin-2-yl)methyl]piperidin-2-one
CID 169323219
(5R,6S)-1-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-ethylpiperidin-2-one
CID 67999090

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one?
The IUPAC name of 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one (CID 70644681) is 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one is CC1CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(C2CC2)C2CC2)C1=O.
What is the InChIKey of 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one?
The InChIKey is PYYLORHMSCHDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2NO/c1-15-13-22(19-3-2-4-21(27)14-19)24(18-9-11-20(26)12-10-18)28(25(15)29)23(16-5-6-16)17-7-8-17/h2-4,9-12,14-17,22-24H,5-8,13H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one?
5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one has a molecular weight of 428.40 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(dicyclopropylmethyl)-3-methylpiperidin-2-one is sourced from PubChem (CID 70644681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).