1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione

C15H20N2O3 — CID 81149814

IUPAC1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCOc1cc(N)cc(CN2C(=O)CC(C)(C)CC2=O)c1
InChIInChI=1S/C15H20N2O3/c1-15(2)7-13(18)17(14(19)8-15)9-10-4-11(16)6-12(5-10)20-3/h4-6H,7-9,16H2,1-3H3
InChIKeyNBYPIXHYNMCSSC-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.95
Rot. Bonds3

About 1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione

1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 81149814) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID81149814
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCOc1cc(N)cc(CN2C(=O)CC(C)(C)CC2=O)c1
InChIInChI=1S/C15H20N2O3/c1-15(2)7-13(18)17(14(19)8-15)9-10-4-11(16)6-12(5-10)20-3/h4-6H,7-9,16H2,1-3H3
InChIKeyNBYPIXHYNMCSSC-UHFFFAOYSA-N
XLogP1.95
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[3-Methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione
CID 146573108
N-[1-[(3-anilino-5-methoxyphenyl)methyl]-4-methylpiperidin-4-yl]acetamide
CID 134806959
N-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide
CID 134808025
N1-(3-Methoxyphenyl)-N3-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 53117255
1-Ethyl-N-(3-methoxyphenyl)-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinoline-4A-carboxamide
CID 124079257
N-[1-[[3-(benzylamino)-5-methoxyphenyl]methyl]-4-methylpiperidin-4-yl]acetamide
CID 134807217
3-[1-(4-fluoro-3-methoxybenzyl)-4-piperidinyl]-N-(3-methoxyphenyl)propanamide
CID 42526438
1-[(3-Amino-2-fluoro-6-methoxyphenyl)methyl]piperidin-2-one
CID 67995856
3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide
CID 90076026
3-amino-N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxybenzamide
CID 141199005
5-[3-Methoxy-5-(trifluoromethyl)anilino]-6-methylidenepiperidin-2-one
CID 158508457
3-Methoxy-5-(trifluoromethyl)aniline;1-methylpiperidine
CID 164558941

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione (CID 81149814) is 1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione is COc1cc(N)cc(CN2C(=O)CC(C)(C)CC2=O)c1.
What is the InChIKey of 1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is NBYPIXHYNMCSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2)7-13(18)17(14(19)8-15)9-10-4-11(16)6-12(5-10)20-3/h4-6H,7-9,16H2,1-3H3.
What are the key properties of 1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione?
1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 276.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-methoxyphenyl)methyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 81149814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).