3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one

C12H14Cl2N2O — CID 62094465

IUPAC3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one
SMILESO=C1NCCCC1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O/c13-9-4-1-3-8(11(9)14)7-16-10-5-2-6-15-12(10)17/h1,3-4,10,16H,2,5-7H2,(H,15,17)
InChIKeyHHCXUZIQEXYAOK-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.36
Rot. Bonds3

About 3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one

3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one (PubChem CID 62094465) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one
PubChem CID62094465
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one
SMILESO=C1NCCCC1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O/c13-9-4-1-3-8(11(9)14)7-16-10-5-2-6-15-12(10)17/h1,3-4,10,16H,2,5-7H2,(H,15,17)
InChIKeyHHCXUZIQEXYAOK-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646
3-[(2-aminophenyl)methylamino]piperidin-2-one
CID 66417485
3-(quinolin-8-ylmethylamino)piperidin-2-one
CID 55033199
3-[[4-[(2-chlorophenyl)methylamino]phenyl]methylamino]azepan-2-one
CID 11371753
3-(2,6-dichloroanilino)azepan-2-one
CID 65469586
3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one
CID 104791742
3-[(3,4-dichlorophenyl)methylamino]azepan-2-one
CID 43687986
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
3-[(3-chloro-4-fluorophenyl)methylamino]azepan-2-one
CID 55086968
3-[(2-methyl-3-nitrophenyl)methylamino]azepan-2-one
CID 103114875
3-(pyridin-2-ylmethylamino)piperidin-2-one
CID 62092104
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one
CID 66415273

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one (CID 62094465) is 3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one is O=C1NCCCC1NCc1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one?
The InChIKey is HHCXUZIQEXYAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-9-4-1-3-8(11(9)14)7-16-10-5-2-6-15-12(10)17/h1,3-4,10,16H,2,5-7H2,(H,15,17).
What are the key properties of 3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one?
3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one has a molecular weight of 273.16 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 62094465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).