5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one

C15H22N2O3 — CID 64656501

IUPAC5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one
SMILESCOc1ccc(CNC2CCC(=O)N(C)C2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-17-10-12(5-7-15(17)18)16-9-11-4-6-13(19-2)14(8-11)20-3/h4,6,8,12,16H,5,7,9-10H2,1-3H3
InChIKeyGUUPVPVVFQYOOL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.41
Rot. Bonds5

About 5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one

5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one (PubChem CID 64656501) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one
PubChem CID64656501
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one
SMILESCOc1ccc(CNC2CCC(=O)N(C)C2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-17-10-12(5-7-15(17)18)16-9-11-4-6-13(19-2)14(8-11)20-3/h4,6,8,12,16H,5,7,9-10H2,1-3H3
InChIKeyGUUPVPVVFQYOOL-UHFFFAOYSA-N
XLogP1.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
CID 64655740
5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656120
(5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
CID 95932164
5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 104646399
2-(3,4-dimethoxyphenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 110745992
5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 79832476
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215948
(3S)-N-[(3,4-dimethoxyphenyl)methyl]thiolan-3-amine
CID 28646937
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 54950208
5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one
CID 63378779
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one (CID 64656501) is 5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one is COc1ccc(CNC2CCC(=O)N(C)C2)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one?
The InChIKey is GUUPVPVVFQYOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17-10-12(5-7-15(17)18)16-9-11-4-6-13(19-2)14(8-11)20-3/h4,6,8,12,16H,5,7,9-10H2,1-3H3.
What are the key properties of 5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one?
5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64656501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).