3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one

C14H20N2O — CID 55033629

IUPAC3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one
SMILESCc1ccc(CNC2CCCNC2=O)cc1C
InChIInChI=1S/C14H20N2O/c1-10-5-6-12(8-11(10)2)9-16-13-4-3-7-15-14(13)17/h5-6,8,13,16H,3-4,7,9H2,1-2H3,(H,15,17)
InChIKeyKXQYZDWBYSNIHE-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.67
Rot. Bonds3

About 3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one

3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one (PubChem CID 55033629) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one
PubChem CID55033629
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one
SMILESCc1ccc(CNC2CCCNC2=O)cc1C
InChIInChI=1S/C14H20N2O/c1-10-5-6-12(8-11(10)2)9-16-13-4-3-7-15-14(13)17/h5-6,8,13,16H,3-4,7,9H2,1-2H3,(H,15,17)
InChIKeyKXQYZDWBYSNIHE-UHFFFAOYSA-N
XLogP1.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one
CID 62092846
3-[(3,4-dichlorophenyl)methylamino]azepan-2-one
CID 43687986
3-[(3-fluoro-4-methoxyphenyl)methylamino]azepan-2-one
CID 60763102
3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one
CID 62093386
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]piperidin-2-one
CID 62092103
3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093209
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093570
3-[(3-ethoxyphenyl)methylamino]piperidin-2-one
CID 62092858
2-fluoro-5-[[(2-oxopiperidin-3-yl)amino]methyl]benzonitrile
CID 114012119
3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one
CID 63270812
3-[(3-chloro-4-fluorophenyl)methylamino]azepan-2-one
CID 55086968
(3S)-3-(benzylamino)azepan-2-one
CID 40582762

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one (CID 55033629) is 3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one is Cc1ccc(CNC2CCCNC2=O)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one?
The InChIKey is KXQYZDWBYSNIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-5-6-12(8-11(10)2)9-16-13-4-3-7-15-14(13)17/h5-6,8,13,16H,3-4,7,9H2,1-2H3,(H,15,17).
What are the key properties of 3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one?
3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 55033629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).