1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one

C18H29N3O2 — CID 93218970

IUPAC1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
SMILESCCOc1ccc(C(=O)CCN(C)C2CCN(C)CC2)cc1N
InChIInChI=1S/C18H29N3O2/c1-4-23-18-6-5-14(13-16(18)19)17(22)9-12-21(3)15-7-10-20(2)11-8-15/h5-6,13,15H,4,7-12,19H2,1-3H3
InChIKeyJCRGPNSBKOWXQQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.27
Rot. Bonds7

About 1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one

1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one (PubChem CID 93218970) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
PubChem CID93218970
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
SMILESCCOc1ccc(C(=O)CCN(C)C2CCN(C)CC2)cc1N
InChIInChI=1S/C18H29N3O2/c1-4-23-18-6-5-14(13-16(18)19)17(22)9-12-21(3)15-7-10-20(2)11-8-15/h5-6,13,15H,4,7-12,19H2,1-3H3
InChIKeyJCRGPNSBKOWXQQ-UHFFFAOYSA-N
XLogP2.27
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one 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

1-(3-amino-4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 82064937
1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064900
3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide
CID 61095549
1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one
CID 82136057
1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone
CID 82258597
(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
CID 82152472
1-(3-amino-4-propoxyphenyl)-3-(dipropylamino)propan-1-one
CID 93213391
1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone
CID 82258591
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
(3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 28689911
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631172

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one?
The IUPAC name of 1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one (CID 93218970) is 1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one.
What is the SMILES notation for 1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one?
The canonical SMILES for 1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one is CCOc1ccc(C(=O)CCN(C)C2CCN(C)CC2)cc1N.
What is the InChIKey of 1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one?
The InChIKey is JCRGPNSBKOWXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-23-18-6-5-14(13-16(18)19)17(22)9-12-21(3)15-7-10-20(2)11-8-15/h5-6,13,15H,4,7-12,19H2,1-3H3.
What are the key properties of 1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one?
1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one has a molecular weight of 319.45 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-ethoxyphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one is sourced from PubChem (CID 93218970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).