1-(3-nitrophenyl)piperidin-2-one

C11H12N2O3 — CID 46786184

IUPAC1-(3-nitrophenyl)piperidin-2-one
SMILESO=C1CCCCN1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H12N2O3/c14-11-6-1-2-7-12(11)9-4-3-5-10(8-9)13(15)16/h3-5,8H,1-2,6-7H2
InChIKeyNLPWUBGYXAACRK-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.11
Rot. Bonds2

About 1-(3-nitrophenyl)piperidin-2-one

1-(3-nitrophenyl)piperidin-2-one (PubChem CID 46786184) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(3-nitrophenyl)piperidin-2-one.

Molecular Properties

Compound Name1-(3-nitrophenyl)piperidin-2-one
PubChem CID46786184
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-(3-nitrophenyl)piperidin-2-one
SMILESO=C1CCCCN1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H12N2O3/c14-11-6-1-2-7-12(11)9-4-3-5-10(8-9)13(15)16/h3-5,8H,1-2,6-7H2
InChIKeyNLPWUBGYXAACRK-UHFFFAOYSA-N
XLogP2.11
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(4-nitrophenyl)azepan-2-one
CID 58962770
1-(3-nitrophenyl)pyrrolidine
CID 698267
1-(3-nitrophenyl)azetidine
CID 58663764
N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248679
1-(2-hydroxy-4-nitrophenyl)piperidin-2-one
CID 58962790
1-[3-(7-nitro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110309326
2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635945
4-nitro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 39667571
(3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 6926305
ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765
1-[1-(3-nitroanilino)ethyl]azepan-2-one
CID 54671647
1-[4-[(Z)-C-methyl-N-(3-nitroanilino)carbonimidoyl]phenyl]pyrrolidin-2-one
CID 8973239

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)piperidin-2-one?
The IUPAC name of 1-(3-nitrophenyl)piperidin-2-one (CID 46786184) is 1-(3-nitrophenyl)piperidin-2-one.
What is the SMILES notation for 1-(3-nitrophenyl)piperidin-2-one?
The canonical SMILES for 1-(3-nitrophenyl)piperidin-2-one is O=C1CCCCN1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-nitrophenyl)piperidin-2-one?
The InChIKey is NLPWUBGYXAACRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-11-6-1-2-7-12(11)9-4-3-5-10(8-9)13(15)16/h3-5,8H,1-2,6-7H2.
What are the key properties of 1-(3-nitrophenyl)piperidin-2-one?
1-(3-nitrophenyl)piperidin-2-one has a molecular weight of 220.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)piperidin-2-one is sourced from PubChem (CID 46786184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).