5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one

C15H22N2O2 — CID 64655740

IUPAC5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
SMILESCOc1ccc(CNC2CCC(=O)N(C)C2)cc1C
InChIInChI=1S/C15H22N2O2/c1-11-8-12(4-6-14(11)19-3)9-16-13-5-7-15(18)17(2)10-13/h4,6,8,13,16H,5,7,9-10H2,1-3H3
InChIKeyVFJGGALCMIEJDD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.71
Rot. Bonds4

About 5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one

5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one (PubChem CID 64655740) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
PubChem CID64655740
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
SMILESCOc1ccc(CNC2CCC(=O)N(C)C2)cc1C
InChIInChI=1S/C15H22N2O2/c1-11-8-12(4-6-14(11)19-3)9-16-13-5-7-15(18)17(2)10-13/h4,6,8,13,16H,5,7,9-10H2,1-3H3
InChIKeyVFJGGALCMIEJDD-UHFFFAOYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656501
(5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
CID 95932164
5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656120
N-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 86893855
N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696394
4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine
CID 43234267
5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 104646399
5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 79832476
tert-butyl 3-[(4-methoxy-3-methylphenyl)methylamino]azetidine-1-carboxylate
CID 103748537
ethyl 5-[[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]methyl]furan-2-carboxylate
CID 97336586
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one (CID 64655740) is 5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one is COc1ccc(CNC2CCC(=O)N(C)C2)cc1C.
What is the InChIKey of 5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one?
The InChIKey is VFJGGALCMIEJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-8-12(4-6-14(11)19-3)9-16-13-5-7-15(18)17(2)10-13/h4,6,8,13,16H,5,7,9-10H2,1-3H3.
What are the key properties of 5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one?
5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64655740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).