3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one

C12H15ClN2O — CID 54579979

IUPAC3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one
SMILESCNC1(c2ccccc2Cl)CCCNC1=O
InChIInChI=1S/C12H15ClN2O/c1-14-12(7-4-8-15-11(12)16)9-5-2-3-6-10(9)13/h2-3,5-6,14H,4,7-8H2,1H3,(H,15,16)
InChIKeyOBFQENXLIIDWAD-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.66
Rot. Bonds2

About 3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one

3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one (PubChem CID 54579979) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one
PubChem CID54579979
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one
SMILESCNC1(c2ccccc2Cl)CCCNC1=O
InChIInChI=1S/C12H15ClN2O/c1-14-12(7-4-8-15-11(12)16)9-5-2-3-6-10(9)13/h2-3,5-6,14H,4,7-8H2,1H3,(H,15,16)
InChIKeyOBFQENXLIIDWAD-UHFFFAOYSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one (CID 54579979) is 3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one is CNC1(c2ccccc2Cl)CCCNC1=O.
What is the InChIKey of 3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one?
The InChIKey is OBFQENXLIIDWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-14-12(7-4-8-15-11(12)16)9-5-2-3-6-10(9)13/h2-3,5-6,14H,4,7-8H2,1H3,(H,15,16).
What are the key properties of 3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one?
3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one has a molecular weight of 238.72 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-(methylamino)piperidin-2-one is sourced from PubChem (CID 54579979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).