4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide

C15H19N3O4 — CID 7964038

IUPAC4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O4/c19-14(17-10-2-1-3-11-17)8-9-16-15(20)12-4-6-13(7-5-12)18(21)22/h4-7H,1-3,8-11H2,(H,16,20)
InChIKeyFWPFGXOUPLOORR-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.73
Rot. Bonds5

About 4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide

4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide (PubChem CID 7964038) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
PubChem CID7964038
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O4/c19-14(17-10-2-1-3-11-17)8-9-16-15(20)12-4-6-13(7-5-12)18(21)22/h4-7H,1-3,8-11H2,(H,16,20)
InChIKeyFWPFGXOUPLOORR-UHFFFAOYSA-N
XLogP1.73
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
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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Related Compounds

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-nitrobenzamide
CID 7964592
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
CID 107034732
3-[(4-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 28654790
1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119356395
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 31886454
4-nitro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17192841
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990
4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157100
4-nitro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzamide
CID 3891451

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide (CID 7964038) is 4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide is O=C(NCCC(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
The InChIKey is FWPFGXOUPLOORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-14(17-10-2-1-3-11-17)8-9-16-15(20)12-4-6-13(7-5-12)18(21)22/h4-7H,1-3,8-11H2,(H,16,20).
What are the key properties of 4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide has a molecular weight of 305.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 7964038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).