(2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone

C15H22N2O2 — CID 62124769

IUPAC(2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCOc1ccc(N)c(C(=O)N2CCCC(C)C2C)c1
InChIInChI=1S/C15H22N2O2/c1-10-5-4-8-17(11(10)2)15(18)13-9-12(19-3)6-7-14(13)16/h6-7,9-11H,4-5,8,16H2,1-3H3
InChIKeyUKATURYKDJGOAW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.54
Rot. Bonds2

About (2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone

(2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone (PubChem CID 62124769) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
PubChem CID62124769
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCOc1ccc(N)c(C(=O)N2CCCC(C)C2C)c1
InChIInChI=1S/C15H22N2O2/c1-10-5-4-8-17(11(10)2)15(18)13-9-12(19-3)6-7-14(13)16/h6-7,9-11H,4-5,8,16H2,1-3H3
InChIKeyUKATURYKDJGOAW-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'}

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-amino-5-methoxyphenyl)methanone
CID 65321801
(2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123342
(2-amino-5-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55138072
(2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid
CID 115413469
1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 61106425
(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123341
(4-bromo-2-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 79005801
(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122988
(6-amino-1,3-benzodioxol-5-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 103543065
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115413023
(2-amino-5-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
CID 107210340
(2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55154457

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone (CID 62124769) is (2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone is COc1ccc(N)c(C(=O)N2CCCC(C)C2C)c1.
What is the InChIKey of (2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is UKATURYKDJGOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-5-4-8-17(11(10)2)15(18)13-9-12(19-3)6-7-14(13)16/h6-7,9-11H,4-5,8,16H2,1-3H3.
What are the key properties of (2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone?
(2-amino-5-methoxyphenyl)-(2,3-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 (2-amino-5-methoxyphenyl)-(2,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62124769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).