(3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one

C17H18N2O2 — CID 132820348

IUPAC(3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one
SMILESCOc1ccc([C@H]2CNC(=O)[C@H](c3ccccc3)N2)cc1
InChIInChI=1S/C17H18N2O2/c1-21-14-9-7-12(8-10-14)15-11-18-17(20)16(19-15)13-5-3-2-4-6-13/h2-10,15-16,19H,11H2,1H3,(H,18,20)/t15-,16+/m1/s1
InChIKeyZDMVTVAQRUNFHY-CVEARBPZSA-N
MW282.34 g/mol
LogP2.20
Rot. Bonds3

About (3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one

(3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one (PubChem CID 132820348) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name(3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one
PubChem CID132820348
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one
SMILESCOc1ccc([C@H]2CNC(=O)[C@H](c3ccccc3)N2)cc1
InChIInChI=1S/C17H18N2O2/c1-21-14-9-7-12(8-10-14)15-11-18-17(20)16(19-15)13-5-3-2-4-6-13/h2-10,15-16,19H,11H2,1H3,(H,18,20)/t15-,16+/m1/s1
InChIKeyZDMVTVAQRUNFHY-CVEARBPZSA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 10107074
5-ethyl-3-phenylpiperazin-2-one
CID 82396570
(5S)-5-(4-methoxyphenyl)piperazin-2-one
CID 124546630
2-(4-methoxyphenyl)-3-methyl-5-phenylimidazolidin-4-one
CID 14584879
(3S,6S)-6-(4-methoxyphenyl)-3-methylpiperidin-2-one
CID 177493796
(2R,3R,5S,6S)-2,6-bis(4-methoxyphenyl)-3,5-diphenylpiperidin-4-one
CID 40806325
ethane;3-(4-methoxyphenyl)-1,4-diazepan-2-one
CID 171840578
4-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 16740807
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
methyl (2S,6R)-4-anilino-2,6-bis(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine-5-carboxylate
CID 102090085
2,7-diphenyl-1,4-diazepan-5-one
CID 10264918
(2S,7S)-2,7-diphenyl-1,4-diazepan-5-one
CID 71351344

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one?
The IUPAC name of (3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one (CID 132820348) is (3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one.
What is the SMILES notation for (3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one?
The canonical SMILES for (3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one is COc1ccc([C@H]2CNC(=O)[C@H](c3ccccc3)N2)cc1.
What is the InChIKey of (3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one?
The InChIKey is ZDMVTVAQRUNFHY-CVEARBPZSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-14-9-7-12(8-10-14)15-11-18-17(20)16(19-15)13-5-3-2-4-6-13/h2-10,15-16,19H,11H2,1H3,(H,18,20)/t15-,16+/m1/s1.
What are the key properties of (3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one?
(3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(4-methoxyphenyl)-3-phenylpiperazin-2-one is sourced from PubChem (CID 132820348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).