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

C20H24N2O2 — CID 93321027

IUPAC(3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(Cc3ccccc3C)[C@H](C)C2=O)c1
InChIInChI=1S/C20H24N2O2/c1-15-7-4-5-8-17(15)14-21-11-12-22(20(23)16(21)2)18-9-6-10-19(13-18)24-3/h4-10,13,16H,11-12,14H2,1-3H3/t16-/m1/s1
InChIKeyCYMOZJDCZCYMPG-MRXNPFEDSA-N
MW324.42 g/mol
LogP3.24
Rot. Bonds4

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

(3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one (PubChem CID 93321027) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
PubChem CID93321027
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(Cc3ccccc3C)[C@H](C)C2=O)c1
InChIInChI=1S/C20H24N2O2/c1-15-7-4-5-8-17(15)14-21-11-12-22(20(23)16(21)2)18-9-6-10-19(13-18)24-3/h4-10,13,16H,11-12,14H2,1-3H3/t16-/m1/s1
InChIKeyCYMOZJDCZCYMPG-MRXNPFEDSA-N
XLogP3.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3,4-dichlorophenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321351
(3S)-1-(3-methoxyphenyl)-3-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-one
CID 95131453
(3R)-4-[(3-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93322431
(3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321370
1-(3-methoxyphenyl)-3-methyl-4-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperazin-2-one
CID 46988297
(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321115
(3S)-1-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321187
4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716569
3-methyl-4-[(2-methylphenyl)methyl]-1-(2-phenylphenyl)piperazin-2-one
CID 42847308
4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035768
(3S)-4-[(2-fluorophenyl)methyl]-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 93290605
1-(2,3-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 24716577

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one (CID 93321027) is (3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one is COc1cccc(N2CCN(Cc3ccccc3C)[C@H](C)C2=O)c1.
What is the InChIKey of (3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one?
The InChIKey is CYMOZJDCZCYMPG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-7-4-5-8-17(15)14-21-11-12-22(20(23)16(21)2)18-9-6-10-19(13-18)24-3/h4-10,13,16H,11-12,14H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one?
(3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one has a molecular weight of 324.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 93321027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).