(3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one

C19H20Cl2N2O — CID 93321351

IUPAC(3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccccc1CN1CCN(c2ccc(Cl)c(Cl)c2)C(=O)[C@H]1C
InChIInChI=1S/C19H20Cl2N2O/c1-13-5-3-4-6-15(13)12-22-9-10-23(19(24)14(22)2)16-7-8-17(20)18(21)11-16/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyGFLQOMKBTCJPGZ-CQSZACIVSA-N
MW363.29 g/mol
LogP4.54
Rot. Bonds3

About (3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one

(3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one (PubChem CID 93321351) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is (3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
PubChem CID93321351
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name(3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccccc1CN1CCN(c2ccc(Cl)c(Cl)c2)C(=O)[C@H]1C
InChIInChI=1S/C19H20Cl2N2O/c1-13-5-3-4-6-15(13)12-22-9-10-23(19(24)14(22)2)16-7-8-17(20)18(21)11-16/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyGFLQOMKBTCJPGZ-CQSZACIVSA-N
XLogP4.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321027
(3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321370
(3S)-1-(3-chloro-4-methylphenyl)-4-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one
CID 93321550
3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one
CID 42847308
4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24715820
methyl 4-[[(2S)-4-(3-chloro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 93322458
methyl 4-[[(2R)-4-(3-chloro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 93322457
methyl 4-[[4-(3-chloro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 42682810
(3S)-4-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 93319688
1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716309
1-(4-tert-butylphenyl)-4-[(2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 46035826
4-benzyl-1-(4-bromophenyl)-3-methylpiperazin-2-one
CID 46035819

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one (CID 93321351) is (3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one is Cc1ccccc1CN1CCN(c2ccc(Cl)c(Cl)c2)C(=O)[C@H]1C.
What is the InChIKey of (3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one?
The InChIKey is GFLQOMKBTCJPGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-13-5-3-4-6-15(13)12-22-9-10-23(19(24)14(22)2)16-7-8-17(20)18(21)11-16/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one?
(3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one has a molecular weight of 363.29 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 93321351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).