5-(2-amino-3-chloroanilino)piperidin-2-one

C11H14ClN3O — CID 104834553

IUPAC5-(2-amino-3-chloroanilino)piperidin-2-one
SMILESNc1c(Cl)cccc1NC1CCC(=O)NC1
InChIInChI=1S/C11H14ClN3O/c12-8-2-1-3-9(11(8)13)15-7-4-5-10(16)14-6-7/h1-3,7,15H,4-6,13H2,(H,14,16)
InChIKeyODWMBQJXLCMKNE-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.61
Rot. Bonds2

About 5-(2-amino-3-chloroanilino)piperidin-2-one

5-(2-amino-3-chloroanilino)piperidin-2-one (PubChem CID 104834553) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 5-(2-amino-3-chloroanilino)piperidin-2-one.

Molecular Properties

Compound Name5-(2-amino-3-chloroanilino)piperidin-2-one
PubChem CID104834553
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name5-(2-amino-3-chloroanilino)piperidin-2-one
SMILESNc1c(Cl)cccc1NC1CCC(=O)NC1
InChIInChI=1S/C11H14ClN3O/c12-8-2-1-3-9(11(8)13)15-7-4-5-10(16)14-6-7/h1-3,7,15H,4-6,13H2,(H,14,16)
InChIKeyODWMBQJXLCMKNE-UHFFFAOYSA-N
XLogP1.61
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 112674906
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one
CID 55231683
3-chloro-1-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 104833978
5-(4-amino-2-fluoroanilino)piperidin-2-one
CID 63660993
2-amino-3-[(5-oxopyrrolidin-3-yl)amino]benzonitrile
CID 106182731
N-methyl-2-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 63661248
5-(2-chloro-4-nitroanilino)piperidin-2-one
CID 62490251
5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one
CID 63660995
4-(4-amino-2-chloroanilino)pyrrolidin-2-one
CID 106182668
5-(2-amino-4-methylsulfonylanilino)piperidin-2-one
CID 63663672
3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62492333

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-chloroanilino)piperidin-2-one?
The IUPAC name of 5-(2-amino-3-chloroanilino)piperidin-2-one (CID 104834553) is 5-(2-amino-3-chloroanilino)piperidin-2-one.
What is the SMILES notation for 5-(2-amino-3-chloroanilino)piperidin-2-one?
The canonical SMILES for 5-(2-amino-3-chloroanilino)piperidin-2-one is Nc1c(Cl)cccc1NC1CCC(=O)NC1.
What is the InChIKey of 5-(2-amino-3-chloroanilino)piperidin-2-one?
The InChIKey is ODWMBQJXLCMKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-8-2-1-3-9(11(8)13)15-7-4-5-10(16)14-6-7/h1-3,7,15H,4-6,13H2,(H,14,16).
What are the key properties of 5-(2-amino-3-chloroanilino)piperidin-2-one?
5-(2-amino-3-chloroanilino)piperidin-2-one has a molecular weight of 239.71 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-chloroanilino)piperidin-2-one is sourced from PubChem (CID 104834553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).