(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone

C15H22N2O2 — CID 16786462

IUPAC(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CC(C)CC(C)C2)cc1N
InChIInChI=1S/C15H22N2O2/c1-10-6-11(2)9-17(8-10)15(18)12-4-5-14(19-3)13(16)7-12/h4-5,7,10-11H,6,8-9,16H2,1-3H3
InChIKeyOESKFNRURXHQAC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.40
Rot. Bonds2

About (3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone

(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 16786462) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID16786462
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CC(C)CC(C)C2)cc1N
InChIInChI=1S/C15H22N2O2/c1-10-6-11(2)9-17(8-10)15(18)12-4-5-14(19-3)13(16)7-12/h4-5,7,10-11H,6,8-9,16H2,1-3H3
InChIKeyOESKFNRURXHQAC-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 28689911
(3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 60660628
(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
CID 16775016
(3-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66393989
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 717990
(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 113228287
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
2-(3-amino-4-methoxybenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855959
(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585621
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 25486073
(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789157

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 16786462) is (3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone is COc1ccc(C(=O)N2CC(C)CC(C)C2)cc1N.
What is the InChIKey of (3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is OESKFNRURXHQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-6-11(2)9-17(8-10)15(18)12-4-5-14(19-3)13(16)7-12/h4-5,7,10-11H,6,8-9,16H2,1-3H3.
What are the key properties of (3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 16786462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).