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

C19H22N2O — CID 95813177

IUPAC(3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one
SMILESCc1ccccc1-c1cccc(C[C@@H]2NCCN(C)C2=O)c1
InChIInChI=1S/C19H22N2O/c1-14-6-3-4-9-17(14)16-8-5-7-15(12-16)13-18-19(22)21(2)11-10-20-18/h3-9,12,18,20H,10-11,13H2,1-2H3/t18-/m0/s1
InChIKeyHCGOFNODMNITQD-SFHVURJKSA-N
MW294.40 g/mol
LogP2.63
Rot. Bonds3

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

(3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one (PubChem CID 95813177) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one
PubChem CID95813177
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one
SMILESCc1ccccc1-c1cccc(C[C@@H]2NCCN(C)C2=O)c1
InChIInChI=1S/C19H22N2O/c1-14-6-3-4-9-17(14)16-8-5-7-15(12-16)13-18-19(22)21(2)11-10-20-18/h3-9,12,18,20H,10-11,13H2,1-2H3/t18-/m0/s1
InChIKeyHCGOFNODMNITQD-SFHVURJKSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one
CID 95813038
(3S)-1-methyl-3-[(4-phenylphenyl)methyl]piperazin-2-one
CID 95813127
3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one
CID 116817312
3-[(3,5-dimethylphenyl)methyl]-1-methylpiperazin-2-one
CID 116817295
3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one
CID 110252089
(3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one
CID 95813138
(6R)-1-(3-fluorobenzoyl)-6-[[3-(2-methylphenyl)phenyl]methyl]-1,4-diazepan-5-one
CID 92562194
(5S)-3-methyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one
CID 59884171
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
(6R)-1-[2-(4-methoxyphenyl)acetyl]-6-[[3-(2-methylphenyl)phenyl]methyl]-1,4-diazepan-5-one
CID 92562187
1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036442
N-methyl-1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 166218883

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one?
The IUPAC name of (3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one (CID 95813177) is (3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for (3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one?
The canonical SMILES for (3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one is Cc1ccccc1-c1cccc(C[C@@H]2NCCN(C)C2=O)c1.
What is the InChIKey of (3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one?
The InChIKey is HCGOFNODMNITQD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-6-3-4-9-17(14)16-8-5-7-15(12-16)13-18-19(22)21(2)11-10-20-18/h3-9,12,18,20H,10-11,13H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one?
(3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one has a molecular weight of 294.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[[3-(2-methylphenyl)phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 95813177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).