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

C18H20N2O — CID 95813178

IUPAC(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one
SMILESCc1ccc(-c2ccc(C[C@H]3NCCNC3=O)cc2)cc1
InChIInChI=1S/C18H20N2O/c1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)12-17-18(21)20-11-10-19-17/h2-9,17,19H,10-12H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyUTRSXXUYXMIGSY-QGZVFWFLSA-N
MW280.37 g/mol
LogP2.29
Rot. Bonds3

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

(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one (PubChem CID 95813178) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one
PubChem CID95813178
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one
SMILESCc1ccc(-c2ccc(C[C@H]3NCCNC3=O)cc2)cc1
InChIInChI=1S/C18H20N2O/c1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)12-17-18(21)20-11-10-19-17/h2-9,17,19H,10-12H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyUTRSXXUYXMIGSY-QGZVFWFLSA-N
XLogP2.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methyl]piperazin-2-one
CID 45037424
3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one;dihydrochloride
CID 119057209
3-[(4-thiophen-2-ylphenyl)methyl]piperazin-2-one
CID 71298961
3-benzyl-1,4-diazepan-2-one
CID 78068532
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
(3S)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 95813169
5-[(4-chlorophenyl)methyl]imidazolidin-4-one
CID 163242437
3-(pyridin-2-ylmethyl)piperazin-2-one
CID 55253321
2,3-dihydroxy-2,3-bis(4-methylbenzoyl)butanedioic acid;(3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
CID 66660726
(3S)-1-methyl-3-[(4-phenylphenyl)methyl]piperazin-2-one
CID 95813127
(5S)-5-benzylimidazolidin-4-one
CID 174267947
(5S)-2,2-dimethyl-5-[(4-methylphenyl)methyl]imidazolidin-4-one
CID 59884112

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one?
The IUPAC name of (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one (CID 95813178) is (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one?
The canonical SMILES for (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one is Cc1ccc(-c2ccc(C[C@H]3NCCNC3=O)cc2)cc1.
What is the InChIKey of (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one?
The InChIKey is UTRSXXUYXMIGSY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)12-17-18(21)20-11-10-19-17/h2-9,17,19H,10-12H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one?
(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one has a molecular weight of 280.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(4-methylphenyl)phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 95813178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).