5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C15H18N4O4 — CID 4234003

IUPAC5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1
InChIInChI=1S/C15H18N4O4/c20-14-6-5-13(16-14)15(21)18-9-7-17(8-10-18)11-1-3-12(4-2-11)19(22)23/h1-4,13H,5-10H2,(H,16,20)
InChIKeyRIPXVYAMWHFCHH-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.52
Rot. Bonds3

About 5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 4234003) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID4234003
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1
InChIInChI=1S/C15H18N4O4/c20-14-6-5-13(16-14)15(21)18-9-7-17(8-10-18)11-1-3-12(4-2-11)19(22)23/h1-4,13H,5-10H2,(H,16,20)
InChIKeyRIPXVYAMWHFCHH-UHFFFAOYSA-N
XLogP0.52
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-1-cyclohexyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 7345959
(4S)-1-tert-butyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8549336
5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110689681
[4-(4-nitrophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2861887
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 2838036
[5-(furan-2-yl)pyrazolidin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 74580952
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
(4-methylpiperazin-1-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 58993930
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
(5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 84589800
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053707
4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 27231869

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 4234003) is 5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1.
What is the InChIKey of 5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is RIPXVYAMWHFCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c20-14-6-5-13(16-14)15(21)18-9-7-17(8-10-18)11-1-3-12(4-2-11)19(22)23/h1-4,13H,5-10H2,(H,16,20).
What are the key properties of 5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 318.33 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 4234003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).