4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one

C24H29N3O2 — CID 45244864

IUPAC4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
SMILESO=C1NCCN(CC(c2ccccc2)c2ccccc2)C1CC(=O)N1CCCC1
InChIInChI=1S/C24H29N3O2/c28-23(26-14-7-8-15-26)17-22-24(29)25-13-16-27(22)18-21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2,(H,25,29)
InChIKeyIGSRRDWKJHVUJQ-UHFFFAOYSA-N
MW391.51 g/mol
LogP2.63
Rot. Bonds6

About 4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one

4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one (PubChem CID 45244864) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
PubChem CID45244864
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
SMILESO=C1NCCN(CC(c2ccccc2)c2ccccc2)C1CC(=O)N1CCCC1
InChIInChI=1S/C24H29N3O2/c28-23(26-14-7-8-15-26)17-22-24(29)25-13-16-27(22)18-21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2,(H,25,29)
InChIKeyIGSRRDWKJHVUJQ-UHFFFAOYSA-N
XLogP2.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one with MolForge

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Related Compounds

3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
ethyl 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]acetate
CID 7172640
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95719696
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide
CID 56900793
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 42527313
(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95708042
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide
CID 45172029
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 95708264
4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 56911735
(3S)-4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95726510
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 45243475

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
The IUPAC name of 4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one (CID 45244864) is 4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one.
What is the SMILES notation for 4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
The canonical SMILES for 4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one is O=C1NCCN(CC(c2ccccc2)c2ccccc2)C1CC(=O)N1CCCC1.
What is the InChIKey of 4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
The InChIKey is IGSRRDWKJHVUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(26-14-7-8-15-26)17-22-24(29)25-13-16-27(22)18-21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2,(H,25,29).
What are the key properties of 4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one has a molecular weight of 391.51 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one is sourced from PubChem (CID 45244864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).