(2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone

C15H22N2O3 — CID 61218408

IUPAC(2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2cc(OC)ccc2N)CC1
InChIInChI=1S/C15H22N2O3/c1-3-20-11-6-8-17(9-7-11)15(18)13-10-12(19-2)4-5-14(13)16/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKeyFRMYWMGJPFVJLV-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.92
Rot. Bonds4

About (2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone

(2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone (PubChem CID 61218408) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone
PubChem CID61218408
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2cc(OC)ccc2N)CC1
InChIInChI=1S/C15H22N2O3/c1-3-20-11-6-8-17(9-7-11)15(18)13-10-12(19-2)4-5-14(13)16/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKeyFRMYWMGJPFVJLV-UHFFFAOYSA-N
XLogP1.92
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-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

(2-amino-5-methoxyphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61114234
(2-amino-5-hydroxyphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107075819
(2-amino-5-hydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 107074957
(2-amino-5-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 54878519
1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 115413219
2-[(4-ethoxypiperidin-1-yl)methyl]-4-methoxyaniline
CID 115413849
(2-amino-5-methoxyphenyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
CID 107210340
(2-amino-5-methoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55152751
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
(2-amino-5-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55138072
(2-amino-5-fluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 54985459
(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62237710

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone (CID 61218408) is (2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone is CCOC1CCN(C(=O)c2cc(OC)ccc2N)CC1.
What is the InChIKey of (2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone?
The InChIKey is FRMYWMGJPFVJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-11-6-8-17(9-7-11)15(18)13-10-12(19-2)4-5-14(13)16/h4-5,10-11H,3,6-9,16H2,1-2H3.
What are the key properties of (2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone?
(2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 61218408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).