[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate

C19H28N2O3 — CID 2387369

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-4-20(5-2)17-8-6-16(7-9-17)19(23)24-14-18(22)21-12-10-15(3)11-13-21/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyAMJVHKWJCGXMJH-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.95
Rot. Bonds6

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate (PubChem CID 2387369) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate
PubChem CID2387369
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-4-20(5-2)17-8-6-16(7-9-17)19(23)24-14-18(22)21-12-10-15(3)11-13-21/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyAMJVHKWJCGXMJH-UHFFFAOYSA-N
XLogP2.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate 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-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2370489
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-(diethylamino)benzoate
CID 9203260
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-cyanobenzoate
CID 2380096
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603726
ethyl 4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 52890363
2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993776
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7753277
N-[4-(diethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113176828
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195508
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2548847
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 7377104
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55999990

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate (CID 2387369) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate is CCN(CC)c1ccc(C(=O)OCC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate?
The InChIKey is AMJVHKWJCGXMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-20(5-2)17-8-6-16(7-9-17)19(23)24-14-18(22)21-12-10-15(3)11-13-21/h6-9,15H,4-5,10-14H2,1-3H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate has a molecular weight of 332.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate is sourced from PubChem (CID 2387369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).