3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C24H28N4O3 — CID 8597236

IUPAC3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESO=C(CCN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H28N4O3/c29-22(25-20-8-10-21(11-9-20)28-13-4-7-23(28)30)12-14-26-15-17-27(18-16-26)24(31)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-18H2,(H,25,29)
InChIKeyULPOAYLWMJDHTM-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.60
Rot. Bonds6

About 3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 8597236) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID8597236
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESO=C(CCN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H28N4O3/c29-22(25-20-8-10-21(11-9-20)28-13-4-7-23(28)30)12-14-26-15-17-27(18-16-26)24(31)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-18H2,(H,25,29)
InChIKeyULPOAYLWMJDHTM-UHFFFAOYSA-N
XLogP2.60
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8596314
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17397146
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide
CID 8748160
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
CID 110422011
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 1055921
1-[4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 27744247
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 8597236) is 3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is O=C(CCN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is ULPOAYLWMJDHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-22(25-20-8-10-21(11-9-20)28-13-4-7-23(28)30)12-14-26-15-17-27(18-16-26)24(31)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-18H2,(H,25,29).
What are the key properties of 3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 420.51 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 8597236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).