(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

C16H24N2O2 — CID 119397688

IUPAC(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCCC(CNC)C2)c1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-8-4-7-14(10-15)16(19)18-9-5-6-13(12-18)11-17-2/h4,7-8,10,13,17H,3,5-6,9,11-12H2,1-2H3
InChIKeyJBBNCXPBFWIPQT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.16
Rot. Bonds5

About (3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119397688) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119397688
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCCC(CNC)C2)c1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-8-4-7-14(10-15)16(19)18-9-5-6-13(12-18)11-17-2/h4,7-8,10,13,17H,3,5-6,9,11-12H2,1-2H3
InChIKeyJBBNCXPBFWIPQT-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-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

N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95151002
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651084
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
(3-cyclopentyloxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540886
1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide
CID 54793893
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284
[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 61205641
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
[3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119398103
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753585

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 119397688) is (3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is CCOc1cccc(C(=O)N2CCCC(CNC)C2)c1.
What is the InChIKey of (3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is JBBNCXPBFWIPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-15-8-4-7-14(10-15)16(19)18-9-5-6-13(12-18)11-17-2/h4,7-8,10,13,17H,3,5-6,9,11-12H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119397688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).