5-(2,6-dichloro-4-nitroanilino)piperidin-2-one

C11H11Cl2N3O3 — CID 104917416

IUPAC5-(2,6-dichloro-4-nitroanilino)piperidin-2-one
SMILESO=C1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CN1
InChIInChI=1S/C11H11Cl2N3O3/c12-8-3-7(16(18)19)4-9(13)11(8)15-6-1-2-10(17)14-5-6/h3-4,6,15H,1-2,5H2,(H,14,17)
InChIKeyBVUJYZJPEJRGEE-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.59
Rot. Bonds3

About 5-(2,6-dichloro-4-nitroanilino)piperidin-2-one

5-(2,6-dichloro-4-nitroanilino)piperidin-2-one (PubChem CID 104917416) has the molecular formula C11H11Cl2N3O3 and a molecular weight of 304.13 g/mol. Its IUPAC name is 5-(2,6-dichloro-4-nitroanilino)piperidin-2-one.

Molecular Properties

Compound Name5-(2,6-dichloro-4-nitroanilino)piperidin-2-one
PubChem CID104917416
Molecular FormulaC11H11Cl2N3O3
Molecular Weight304.13 g/mol
Exact Mass303.02
IUPAC Name5-(2,6-dichloro-4-nitroanilino)piperidin-2-one
SMILESO=C1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CN1
InChIInChI=1S/C11H11Cl2N3O3/c12-8-3-7(16(18)19)4-9(13)11(8)15-6-1-2-10(17)14-5-6/h3-4,6,15H,1-2,5H2,(H,14,17)
InChIKeyBVUJYZJPEJRGEE-UHFFFAOYSA-N
XLogP2.59
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.59
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-chloro-4-nitroanilino)piperidin-2-one
CID 62490251
2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616971
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
1-N-(2,6-dichloro-4-nitrophenyl)cyclobutane-1,3-diamine
CID 106891740
5-(5-bromo-2-nitroanilino)piperidin-2-one
CID 65343295
2-bromo-6-chloro-N-cyclohexyl-4-nitroaniline
CID 50879522
4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60617057
5-(2,3,4,5,6-pentafluoroanilino)piperidin-2-one
CID 63662841
(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one
CID 95904705
3-nitro-4-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661070
5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 63318938

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichloro-4-nitroanilino)piperidin-2-one?
The IUPAC name of 5-(2,6-dichloro-4-nitroanilino)piperidin-2-one (CID 104917416) is 5-(2,6-dichloro-4-nitroanilino)piperidin-2-one.
What is the SMILES notation for 5-(2,6-dichloro-4-nitroanilino)piperidin-2-one?
The canonical SMILES for 5-(2,6-dichloro-4-nitroanilino)piperidin-2-one is O=C1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CN1.
What is the InChIKey of 5-(2,6-dichloro-4-nitroanilino)piperidin-2-one?
The InChIKey is BVUJYZJPEJRGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O3/c12-8-3-7(16(18)19)4-9(13)11(8)15-6-1-2-10(17)14-5-6/h3-4,6,15H,1-2,5H2,(H,14,17).
What are the key properties of 5-(2,6-dichloro-4-nitroanilino)piperidin-2-one?
5-(2,6-dichloro-4-nitroanilino)piperidin-2-one has a molecular weight of 304.13 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichloro-4-nitroanilino)piperidin-2-one is sourced from PubChem (CID 104917416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).