3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one

C14H20N2O3 — CID 62093209

IUPAC3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1cc(CNC2CCCNC2=O)cc(OC)c1
InChIInChI=1S/C14H20N2O3/c1-18-11-6-10(7-12(8-11)19-2)9-16-13-4-3-5-15-14(13)17/h6-8,13,16H,3-5,9H2,1-2H3,(H,15,17)
InChIKeyLIJSBFPSCRWEEX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.07
Rot. Bonds5

About 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one

3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one (PubChem CID 62093209) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
PubChem CID62093209
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1cc(CNC2CCCNC2=O)cc(OC)c1
InChIInChI=1S/C14H20N2O3/c1-18-11-6-10(7-12(8-11)19-2)9-16-13-4-3-5-15-14(13)17/h6-8,13,16H,3-5,9H2,1-2H3,(H,15,17)
InChIKeyLIJSBFPSCRWEEX-UHFFFAOYSA-N
XLogP1.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one
CID 62093386
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093570
3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 55033823
3-[(3-ethoxyphenyl)methylamino]piperidin-2-one
CID 62092858
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]piperidin-2-one
CID 62094486
3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one
CID 55033629
3-[(2-methoxy-4-pyridinyl)methylamino]azepan-2-one
CID 62989736
3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one
CID 62092846
3-[(3,5-difluorophenyl)methylamino]azepan-2-one
CID 103613609
3-[(3-fluoro-4-methoxyphenyl)methylamino]azepan-2-one
CID 60763102
3-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]azepan-2-one;hydrochloride
CID 56814243
3-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]azepan-2-one;hydrochloride
CID 56797284

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one (CID 62093209) is 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one is COc1cc(CNC2CCCNC2=O)cc(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one?
The InChIKey is LIJSBFPSCRWEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-11-6-10(7-12(8-11)19-2)9-16-13-4-3-5-15-14(13)17/h6-8,13,16H,3-5,9H2,1-2H3,(H,15,17).
What are the key properties of 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one?
3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 62093209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).