5-(2-chloro-4-nitroanilino)piperidin-2-one

C11H12ClN3O3 — CID 62490251

IUPAC5-(2-chloro-4-nitroanilino)piperidin-2-one
SMILESO=C1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CN1
InChIInChI=1S/C11H12ClN3O3/c12-9-5-8(15(17)18)2-3-10(9)14-7-1-4-11(16)13-6-7/h2-3,5,7,14H,1,4,6H2,(H,13,16)
InChIKeyZVPVDUVXAXMWFN-UHFFFAOYSA-N
MW269.69 g/mol
LogP1.94
Rot. Bonds3

About 5-(2-chloro-4-nitroanilino)piperidin-2-one

5-(2-chloro-4-nitroanilino)piperidin-2-one (PubChem CID 62490251) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is 5-(2-chloro-4-nitroanilino)piperidin-2-one.

Molecular Properties

Compound Name5-(2-chloro-4-nitroanilino)piperidin-2-one
PubChem CID62490251
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name5-(2-chloro-4-nitroanilino)piperidin-2-one
SMILESO=C1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CN1
InChIInChI=1S/C11H12ClN3O3/c12-9-5-8(15(17)18)2-3-10(9)14-7-1-4-11(16)13-6-7/h2-3,5,7,14H,1,4,6H2,(H,13,16)
InChIKeyZVPVDUVXAXMWFN-UHFFFAOYSA-N
XLogP1.94
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 51.94
H-Bond Donors ≤ 52
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

5-(2,6-dichloro-4-nitroanilino)piperidin-2-one
CID 104917416
1-(2-chloro-4-nitrophenyl)-3-[(3R)-6-oxopiperidin-3-yl]urea
CID 95733889
5-nitro-2-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661956
2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616971
N-(2-chloro-4-nitrophenyl)piperidin-4-amine
CID 43345822
N-(2-chloro-4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61230646
2-chloro-N-(4-methylcyclohexyl)-4-nitroaniline
CID 43081290
3-nitro-4-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661070
5-(5-bromo-2-nitroanilino)piperidin-2-one
CID 65343295
2-chloro-N-(3,3-dimethylcyclopentyl)-4-nitroaniline
CID 80706096
2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561196
5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 63318938

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-nitroanilino)piperidin-2-one?
The IUPAC name of 5-(2-chloro-4-nitroanilino)piperidin-2-one (CID 62490251) is 5-(2-chloro-4-nitroanilino)piperidin-2-one.
What is the SMILES notation for 5-(2-chloro-4-nitroanilino)piperidin-2-one?
The canonical SMILES for 5-(2-chloro-4-nitroanilino)piperidin-2-one is O=C1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CN1.
What is the InChIKey of 5-(2-chloro-4-nitroanilino)piperidin-2-one?
The InChIKey is ZVPVDUVXAXMWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c12-9-5-8(15(17)18)2-3-10(9)14-7-1-4-11(16)13-6-7/h2-3,5,7,14H,1,4,6H2,(H,13,16).
What are the key properties of 5-(2-chloro-4-nitroanilino)piperidin-2-one?
5-(2-chloro-4-nitroanilino)piperidin-2-one has a molecular weight of 269.69 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-nitroanilino)piperidin-2-one is sourced from PubChem (CID 62490251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).