1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one

C25H31N3O2 — CID 95782144

IUPAC1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one
SMILESCC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C25H31N3O2/c1-2-22-19-26(18-21-7-4-3-5-8-21)15-16-28(22)25(30)17-20-10-12-23(13-11-20)27-14-6-9-24(27)29/h3-5,7-8,10-13,22H,2,6,9,14-19H2,1H3/t22-/m1/s1
InChIKeyJIESTORFQQGAEV-JOCHJYFZSA-N
MW405.54 g/mol
LogP3.48
Rot. Bonds6

About 1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one

1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one (PubChem CID 95782144) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one
PubChem CID95782144
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one
SMILESCC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C25H31N3O2/c1-2-22-19-26(18-21-7-4-3-5-8-21)15-16-28(22)25(30)17-20-10-12-23(13-11-20)27-14-6-9-24(27)29/h3-5,7-8,10-13,22H,2,6,9,14-19H2,1H3/t22-/m1/s1
InChIKeyJIESTORFQQGAEV-JOCHJYFZSA-N
XLogP3.48
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
CID 67131699
N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17436953
N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27666071
1-[4-[2-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one
CID 94487256
1-[4-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one
CID 94487253
1-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95782147
1-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95782146
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9041718
1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one
CID 98063999
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46698969
N-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17418131

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one (CID 95782144) is 1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one is CC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one?
The InChIKey is JIESTORFQQGAEV-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-2-22-19-26(18-21-7-4-3-5-8-21)15-16-28(22)25(30)17-20-10-12-23(13-11-20)27-14-6-9-24(27)29/h3-5,7-8,10-13,22H,2,6,9,14-19H2,1H3/t22-/m1/s1.
What are the key properties of 1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one?
1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one has a molecular weight of 405.54 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 95782144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).