(3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one

C21H22Cl2N2O2 — CID 93322313

IUPAC(3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCC(C)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](C)C2=O)cc1
InChIInChI=1S/C21H22Cl2N2O2/c1-13(2)15-4-7-17(8-5-15)25-11-10-24(14(3)20(25)26)21(27)16-6-9-18(22)19(23)12-16/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1
InChIKeyWIEDLQZLOYIVQH-CQSZACIVSA-N
MW405.33 g/mol
LogP4.99
Rot. Bonds3

About (3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one

(3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one (PubChem CID 93322313) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is (3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
PubChem CID93322313
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC Name(3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCC(C)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](C)C2=O)cc1
InChIInChI=1S/C21H22Cl2N2O2/c1-13(2)15-4-7-17(8-5-15)25-11-10-24(14(3)20(25)26)21(27)16-6-9-18(22)19(23)12-16/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1
InChIKeyWIEDLQZLOYIVQH-CQSZACIVSA-N
XLogP4.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-(3,4-dichlorobenzoyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93322535
3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 46036191
(3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93321508
(3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93292545
3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 46036208
(3S)-4-(3,4-dichlorobenzoyl)-1-(3,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322542
3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 24715958
(3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93322176
3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718890
(3R)-1-(4-chlorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321834
4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 46036538
(3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 93322933

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one?
The IUPAC name of (3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one (CID 93322313) is (3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one?
The canonical SMILES for (3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one is CC(C)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](C)C2=O)cc1.
What is the InChIKey of (3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one?
The InChIKey is WIEDLQZLOYIVQH-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2/c1-13(2)15-4-7-17(8-5-15)25-11-10-24(14(3)20(25)26)21(27)16-6-9-18(22)19(23)12-16/h4-9,12-14H,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one?
(3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one has a molecular weight of 405.33 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one is sourced from PubChem (CID 93322313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).