4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one

C13H15N3O3 — CID 150208087

IUPAC4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one
SMILESO=C1CN(C2CC2)CCN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H15N3O3/c17-13-9-14(10-1-2-10)7-8-15(13)11-3-5-12(6-4-11)16(18)19/h3-6,10H,1-2,7-9H2
InChIKeyFQWYQPLEDYDIFC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.41
Rot. Bonds3

About 4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one

4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one (PubChem CID 150208087) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one
PubChem CID150208087
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one
SMILESO=C1CN(C2CC2)CCN1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H15N3O3/c17-13-9-14(10-1-2-10)7-8-15(13)11-3-5-12(6-4-11)16(18)19/h3-6,10H,1-2,7-9H2
InChIKeyFQWYQPLEDYDIFC-UHFFFAOYSA-N
XLogP1.41
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one?
The IUPAC name of 4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one (CID 150208087) is 4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one.
What is the SMILES notation for 4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one?
The canonical SMILES for 4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one is O=C1CN(C2CC2)CCN1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one?
The InChIKey is FQWYQPLEDYDIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-13-9-14(10-1-2-10)7-8-15(13)11-3-5-12(6-4-11)16(18)19/h3-6,10H,1-2,7-9H2.
What are the key properties of 4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one?
4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one has a molecular weight of 261.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-(4-nitrophenyl)piperazin-2-one is sourced from PubChem (CID 150208087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).