5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide

C18H24N4O3 — CID 50879842

IUPAC5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CCN(c2ccc(N3CC(C(N)=O)CC3=O)cc2)CC1
InChIInChI=1S/C18H24N4O3/c1-2-16(23)21-9-7-20(8-10-21)14-3-5-15(6-4-14)22-12-13(18(19)25)11-17(22)24/h3-6,13H,2,7-12H2,1H3,(H2,19,25)
InChIKeyXQBFGKAMWLAOIQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.58
Rot. Bonds4

About 5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide

5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 50879842) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID50879842
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCCC(=O)N1CCN(c2ccc(N3CC(C(N)=O)CC3=O)cc2)CC1
InChIInChI=1S/C18H24N4O3/c1-2-16(23)21-9-7-20(8-10-21)14-3-5-15(6-4-14)22-12-13(18(19)25)11-17(22)24/h3-6,13H,2,7-12H2,1H3,(H2,19,25)
InChIKeyXQBFGKAMWLAOIQ-UHFFFAOYSA-N
XLogP0.58
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.58
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-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50879047
1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696336
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-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 99969292
1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide
CID 50896096
methyl 1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 50896105
(3S)-1-(4-butoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2174533
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-[(4-aminophenyl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698337

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide (CID 50879842) is 5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide is CCC(=O)N1CCN(c2ccc(N3CC(C(N)=O)CC3=O)cc2)CC1.
What is the InChIKey of 5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is XQBFGKAMWLAOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-16(23)21-9-7-20(8-10-21)14-3-5-15(6-4-14)22-12-13(18(19)25)11-17(22)24/h3-6,13H,2,7-12H2,1H3,(H2,19,25).
What are the key properties of 5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 50879842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).