(3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one

C24H20Cl3NO — CID 58957086

IUPAC(3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one
SMILESO=C1[C@@H](Cc2ccccc2)CCC(c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1
InChIInChI=1S/C24H20Cl3NO/c25-18-7-10-20(11-8-18)28-23(21-12-9-19(26)15-22(21)27)13-6-17(24(28)29)14-16-4-2-1-3-5-16/h1-5,7-12,15,17,23H,6,13-14H2/t17-,23?/m1/s1
InChIKeyLVQZDDPRTSDVLX-LIXIDFRTSA-N
MW444.79 g/mol
LogP7.37
Rot. Bonds4

About (3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one

(3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one (PubChem CID 58957086) has the molecular formula C24H20Cl3NO and a molecular weight of 444.79 g/mol. Its IUPAC name is (3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one
PubChem CID58957086
Molecular FormulaC24H20Cl3NO
Molecular Weight444.79 g/mol
Exact Mass443.06
IUPAC Name(3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one
SMILESO=C1[C@@H](Cc2ccccc2)CCC(c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1
InChIInChI=1S/C24H20Cl3NO/c25-18-7-10-20(11-8-18)28-23(21-12-9-19(26)15-22(21)27)13-6-17(24(28)29)14-16-4-2-1-3-5-16/h1-5,7-12,15,17,23H,6,13-14H2/t17-,23?/m1/s1
InChIKeyLVQZDDPRTSDVLX-LIXIDFRTSA-N
XLogP7.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.79
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one?
The IUPAC name of (3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one (CID 58957086) is (3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one.
What is the SMILES notation for (3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one?
The canonical SMILES for (3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one is O=C1[C@@H](Cc2ccccc2)CCC(c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one?
The InChIKey is LVQZDDPRTSDVLX-LIXIDFRTSA-N. The full InChI is InChI=1S/C24H20Cl3NO/c25-18-7-10-20(11-8-18)28-23(21-12-9-19(26)15-22(21)27)13-6-17(24(28)29)14-16-4-2-1-3-5-16/h1-5,7-12,15,17,23H,6,13-14H2/t17-,23?/m1/s1.
What are the key properties of (3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one?
(3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one has a molecular weight of 444.79 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-one is sourced from PubChem (CID 58957086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).