(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone

C14H20N2O2 — CID 43372645

IUPAC(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(C)c(N)c2)CC1
InChIInChI=1S/C14H20N2O2/c1-10-3-4-11(9-13(10)15)14(17)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8,15H2,1-2H3
InChIKeyPCUHYENEEZLWES-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.83
Rot. Bonds2

About (3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone

(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 43372645) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID43372645
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(C)c(N)c2)CC1
InChIInChI=1S/C14H20N2O2/c1-10-3-4-11(9-13(10)15)14(17)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8,15H2,1-2H3
InChIKeyPCUHYENEEZLWES-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-amino-4-methylphenyl)-(4-methoxypiperidin-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

(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 16789345
1-(3-amino-4-methylbenzoyl)piperidine-4-carboxylic acid
CID 61158258
(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 112705709
(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091781
(3,4-dimethylphenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616508
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(4-methoxypiperidin-1-yl)-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 176731437
(3-amino-4-methylphenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54976973
(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 86780197
(2-amino-6-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372607
(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216506

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone (CID 43372645) is (3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2ccc(C)c(N)c2)CC1.
What is the InChIKey of (3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is PCUHYENEEZLWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-3-4-11(9-13(10)15)14(17)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8,15H2,1-2H3.
What are the key properties of (3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone?
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 43372645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).