(6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one

C25H31N3O2 — CID 137334191

IUPAC(6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CC2CCN(Cc3ccccc3)CC2)C[C@H](Cc2ccccc2)N1
InChIInChI=1S/C25H31N3O2/c29-24-19-28(18-23(26-24)15-20-7-3-1-4-8-20)25(30)16-21-11-13-27(14-12-21)17-22-9-5-2-6-10-22/h1-10,21,23H,11-19H2,(H,26,29)/t23-/m0/s1
InChIKeyDZEFCTLIBUDSQM-QHCPKHFHSA-N
MW405.54 g/mol
LogP2.86
Rot. Bonds6

About (6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one

(6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one (PubChem CID 137334191) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is (6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one
PubChem CID137334191
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name(6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CC2CCN(Cc3ccccc3)CC2)C[C@H](Cc2ccccc2)N1
InChIInChI=1S/C25H31N3O2/c29-24-19-28(18-23(26-24)15-20-7-3-1-4-8-20)25(30)16-21-11-13-27(14-12-21)17-22-9-5-2-6-10-22/h1-10,21,23H,11-19H2,(H,26,29)/t23-/m0/s1
InChIKeyDZEFCTLIBUDSQM-QHCPKHFHSA-N
XLogP2.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-6-benzyl-4-(3,3-diphenylpropanoyl)piperazin-2-one
CID 137342622
4-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-cyclohexyl-N-methyl-4-oxobutanamide
CID 137341590
(6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 137335175
(6S)-6-benzyl-4-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]piperazin-2-one
CID 137344270
(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one
CID 135156130
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 70709077
1-[(3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-cyclopentylethanone
CID 136581394
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694625
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826752
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 125170778

Frequently Asked Questions

What is the IUPAC name of (6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one?
The IUPAC name of (6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one (CID 137334191) is (6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one.
What is the SMILES notation for (6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one?
The canonical SMILES for (6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one is O=C1CN(C(=O)CC2CCN(Cc3ccccc3)CC2)C[C@H](Cc2ccccc2)N1.
What is the InChIKey of (6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one?
The InChIKey is DZEFCTLIBUDSQM-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-24-19-28(18-23(26-24)15-20-7-3-1-4-8-20)25(30)16-21-11-13-27(14-12-21)17-22-9-5-2-6-10-22/h1-10,21,23H,11-19H2,(H,26,29)/t23-/m0/s1.
What are the key properties of (6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one?
(6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one has a molecular weight of 405.54 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 137334191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).