5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one

C14H20N2O2 — CID 64656120

IUPAC5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
SMILESCOc1ccc(CNC2CCC(=O)N(C)C2)cc1
InChIInChI=1S/C14H20N2O2/c1-16-10-12(5-8-14(16)17)15-9-11-3-6-13(18-2)7-4-11/h3-4,6-7,12,15H,5,8-10H2,1-2H3
InChIKeyTWCTUFGERNRJAM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.41
Rot. Bonds4

About 5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one

5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one (PubChem CID 64656120) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
PubChem CID64656120
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
SMILESCOc1ccc(CNC2CCC(=O)N(C)C2)cc1
InChIInChI=1S/C14H20N2O2/c1-16-10-12(5-8-14(16)17)15-9-11-3-6-13(18-2)7-4-11/h3-4,6-7,12,15H,5,8-10H2,1-2H3
InChIKeyTWCTUFGERNRJAM-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656501
5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
CID 64655740
(5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
CID 95932164
(4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 75411880
5-[(2-chloro-6-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 115641852
5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 79832476
(4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411890
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one
CID 79267253
(5R)-5-[[4-(4-methoxyphenoxy)phenyl]methylamino]piperidin-2-one
CID 97351119
ethyl 5-[[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]methyl]furan-2-carboxylate
CID 97336586
3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 2858584

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one (CID 64656120) is 5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one is COc1ccc(CNC2CCC(=O)N(C)C2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one?
The InChIKey is TWCTUFGERNRJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-10-12(5-8-14(16)17)15-9-11-3-6-13(18-2)7-4-11/h3-4,6-7,12,15H,5,8-10H2,1-2H3.
What are the key properties of 5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one?
5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64656120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).