1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C17H22N4O3 — CID 50879047

IUPAC1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(N3CC(C(N)=O)CC3=O)cc2)CC1
InChIInChI=1S/C17H22N4O3/c1-12(22)19-6-8-20(9-7-19)14-2-4-15(5-3-14)21-11-13(17(18)24)10-16(21)23/h2-5,13H,6-11H2,1H3,(H2,18,24)
InChIKeyRQLHKNOXNLUTEJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.19
Rot. Bonds3

About 1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 50879047) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID50879047
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccc(N3CC(C(N)=O)CC3=O)cc2)CC1
InChIInChI=1S/C17H22N4O3/c1-12(22)19-6-8-20(9-7-19)14-2-4-15(5-3-14)21-11-13(17(18)24)10-16(21)23/h2-5,13H,6-11H2,1H3,(H2,18,24)
InChIKeyRQLHKNOXNLUTEJ-UHFFFAOYSA-N
XLogP0.19
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696336
5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 50879842
1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide
CID 50896096
1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50896042
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50879059
1-[2-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50882349
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 168697848
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168695945
(4S)-1-(4-methylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9254747
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 50879047) is 1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is CC(=O)N1CCN(c2ccc(N3CC(C(N)=O)CC3=O)cc2)CC1.
What is the InChIKey of 1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RQLHKNOXNLUTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12(22)19-6-8-20(9-7-19)14-2-4-15(5-3-14)21-11-13(17(18)24)10-16(21)23/h2-5,13H,6-11H2,1H3,(H2,18,24).
What are the key properties of 1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50879047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).