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

C20H24N2O — CID 93321370

IUPAC(3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccccc1CN1CCN(c2ccccc2C)C(=O)[C@@H]1C
InChIInChI=1S/C20H24N2O/c1-15-8-4-6-10-18(15)14-21-12-13-22(20(23)17(21)3)19-11-7-5-9-16(19)2/h4-11,17H,12-14H2,1-3H3/t17-/m0/s1
InChIKeyLOZGIWXDXJOGME-KRWDZBQOSA-N
MW308.43 g/mol
LogP3.54
Rot. Bonds3

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

(3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one (PubChem CID 93321370) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one
PubChem CID93321370
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccccc1CN1CCN(c2ccccc2C)C(=O)[C@@H]1C
InChIInChI=1S/C20H24N2O/c1-15-8-4-6-10-18(15)14-21-12-13-22(20(23)17(21)3)19-11-7-5-9-16(19)2/h4-11,17H,12-14H2,1-3H3/t17-/m0/s1
InChIKeyLOZGIWXDXJOGME-KRWDZBQOSA-N
XLogP3.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one (CID 93321370) is (3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one is Cc1ccccc1CN1CCN(c2ccccc2C)C(=O)[C@@H]1C.
What is the InChIKey of (3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one?
The InChIKey is LOZGIWXDXJOGME-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-8-4-6-10-18(15)14-21-12-13-22(20(23)17(21)3)19-11-7-5-9-16(19)2/h4-11,17H,12-14H2,1-3H3/t17-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one?
(3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one has a molecular weight of 308.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(2-methylphenyl)-4-[(2-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 93321370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).