(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone

C15H22N2O2 — CID 104782959

IUPAC(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCCC(C)(C)C2)ccc1N
InChIInChI=1S/C15H22N2O2/c1-15(2)7-4-8-17(10-15)14(18)11-5-6-12(16)13(9-11)19-3/h5-6,9H,4,7-8,10,16H2,1-3H3
InChIKeyLYGDFEDIMLRMBO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.54
Rot. Bonds2

About (4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone

(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone (PubChem CID 104782959) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone
PubChem CID104782959
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCCC(C)(C)C2)ccc1N
InChIInChI=1S/C15H22N2O2/c1-15(2)7-4-8-17(10-15)14(18)11-5-6-12(16)13(9-11)19-3/h5-6,9H,4,7-8,10,16H2,1-3H3
InChIKeyLYGDFEDIMLRMBO-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 118286378
(3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615061
(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734697
(4-amino-5-chloro-2-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734706
(4-amino-3-methoxyphenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 104782972
(3,4-dimethoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406157
4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one
CID 104782996
(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 90104243
(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 90103540
(3,5-dimethoxy-4-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875036
2-[2-methoxy-4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 119129651
(4-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone (CID 104782959) is (4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone is COc1cc(C(=O)N2CCCC(C)(C)C2)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is LYGDFEDIMLRMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)7-4-8-17(10-15)14(18)11-5-6-12(16)13(9-11)19-3/h5-6,9H,4,7-8,10,16H2,1-3H3.
What are the key properties of (4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone?
(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 104782959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).