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

C23H26N4O3 — CID 50896042

IUPAC1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCN(c3ccc(N4CC(C(N)=O)CC4=O)cc3)CC2)cc1
InChIInChI=1S/C23H26N4O3/c1-16-2-4-17(5-3-16)23(30)26-12-10-25(11-13-26)19-6-8-20(9-7-19)27-15-18(22(24)29)14-21(27)28/h2-9,18H,10-15H2,1H3,(H2,24,29)
InChIKeyHANGCLXUKGYEPF-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.80
Rot. Bonds4

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

1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 50896042) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID50896042
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCN(c3ccc(N4CC(C(N)=O)CC4=O)cc3)CC2)cc1
InChIInChI=1S/C23H26N4O3/c1-16-2-4-17(5-3-16)23(30)26-12-10-25(11-13-26)19-6-8-20(9-7-19)27-15-18(22(24)29)14-21(27)28/h2-9,18H,10-15H2,1H3,(H2,24,29)
InChIKeyHANGCLXUKGYEPF-UHFFFAOYSA-N
XLogP1.80
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.80
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-benzoylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50879059
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
5-oxo-1-[4-(4-propanoylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 50879842
(4S)-1-(4-methylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9254747
(3S)-1-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide
CID 95733164
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one
CID 71252641
(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 41168133
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide
CID 50896096

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 50896042) is 1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(C(=O)N2CCN(c3ccc(N4CC(C(N)=O)CC4=O)cc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HANGCLXUKGYEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-2-4-17(5-3-16)23(30)26-12-10-25(11-13-26)19-6-8-20(9-7-19)27-15-18(22(24)29)14-21(27)28/h2-9,18H,10-15H2,1H3,(H2,24,29).
What are the key properties of 1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50896042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).