5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one

C15H20N4O4 — CID 86816850

IUPAC5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H20N4O4/c20-14-13(19(22)23)9-11(10-16-14)15(21)18-7-5-17(6-8-18)12-3-1-2-4-12/h9-10,12H,1-8H2,(H,16,20)
InChIKeyOQZGHQOKRBAMNB-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.98
Rot. Bonds3

About 5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one

5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one (PubChem CID 86816850) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one
PubChem CID86816850
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H20N4O4/c20-14-13(19(22)23)9-11(10-16-14)15(21)18-7-5-17(6-8-18)12-3-1-2-4-12/h9-10,12H,1-8H2,(H,16,20)
InChIKeyOQZGHQOKRBAMNB-UHFFFAOYSA-N
XLogP0.98
TPSA99.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one?
The IUPAC name of 5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one (CID 86816850) is 5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one is O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one?
The InChIKey is OQZGHQOKRBAMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c20-14-13(19(22)23)9-11(10-16-14)15(21)18-7-5-17(6-8-18)12-3-1-2-4-12/h9-10,12H,1-8H2,(H,16,20).
What are the key properties of 5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one?
5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one has a molecular weight of 320.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopentylpiperazine-1-carbonyl)-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 86816850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).