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

C14H20N2O3 — CID 55033823

IUPAC3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1ccc(OC)c(CNC2CCCNC2=O)c1
InChIInChI=1S/C14H20N2O3/c1-18-11-5-6-13(19-2)10(8-11)9-16-12-4-3-7-15-14(12)17/h5-6,8,12,16H,3-4,7,9H2,1-2H3,(H,15,17)
InChIKeyXAHUOEKKQFZLPJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.07
Rot. Bonds5

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

3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one (PubChem CID 55033823) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one
PubChem CID55033823
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one
SMILESCOc1ccc(OC)c(CNC2CCCNC2=O)c1
InChIInChI=1S/C14H20N2O3/c1-18-11-5-6-13(19-2)10(8-11)9-16-12-4-3-7-15-14(12)17/h5-6,8,12,16H,3-4,7,9H2,1-2H3,(H,15,17)
InChIKeyXAHUOEKKQFZLPJ-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-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one
CID 62094837
(3S)-3-[(5-bromo-2-methoxyphenyl)methylamino]azepan-2-one
CID 93263397
3-[(3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093209
3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one
CID 104791742
3-[(3-fluoro-4-methoxyphenyl)methylamino]azepan-2-one
CID 60763102
3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one
CID 62093386
1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 71935595
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093570
3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one
CID 62092846
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
(3R)-3-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]azepan-2-one
CID 97045781

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one (CID 55033823) is 3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one is COc1ccc(OC)c(CNC2CCCNC2=O)c1.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one?
The InChIKey is XAHUOEKKQFZLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-11-5-6-13(19-2)10(8-11)9-16-12-4-3-7-15-14(12)17/h5-6,8,12,16H,3-4,7,9H2,1-2H3,(H,15,17).
What are the key properties of 3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one?
3-[(2,5-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-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 55033823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).