3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate

C16H21N2O3- — CID 154825525

IUPAC3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate
SMILESCCc1cccc(C(=O)[O-])c1NC(=O)CN1CCCCC1
InChIInChI=1S/C16H22N2O3/c1-2-12-7-6-8-13(16(20)21)15(12)17-14(19)11-18-9-4-3-5-10-18/h6-8H,2-5,9-11H2,1H3,(H,17,19)(H,20,21)/p-1
InChIKeyYIKIMYLCGXSNNC-UHFFFAOYSA-M
MW289.35 g/mol
LogP1.04
Rot. Bonds5

About 3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate

3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate (PubChem CID 154825525) has the molecular formula C16H21N2O3- and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate.

Molecular Properties

Compound Name3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate
PubChem CID154825525
Molecular FormulaC16H21N2O3-
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate
SMILESCCc1cccc(C(=O)[O-])c1NC(=O)CN1CCCCC1
InChIInChI=1S/C16H22N2O3/c1-2-12-7-6-8-13(16(20)21)15(12)17-14(19)11-18-9-4-3-5-10-18/h6-8H,2-5,9-11H2,1H3,(H,17,19)(H,20,21)/p-1
InChIKeyYIKIMYLCGXSNNC-UHFFFAOYSA-M
XLogP1.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]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

N-(2,6-diethylphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197689
N-(2,6-diethylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51171911
N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide
CID 108995795
N-(2-chlorophenyl)-2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29161563
N-(2,6-diethylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 22197765
2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845
N-(2,6-diethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 22197328
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
2-[4-[(3-bromo-4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide
CID 3819506
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197
N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide
CID 13478077
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate?
The IUPAC name of 3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate (CID 154825525) is 3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate.
What is the SMILES notation for 3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate?
The canonical SMILES for 3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate is CCc1cccc(C(=O)[O-])c1NC(=O)CN1CCCCC1.
What is the InChIKey of 3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate?
The InChIKey is YIKIMYLCGXSNNC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H22N2O3/c1-2-12-7-6-8-13(16(20)21)15(12)17-14(19)11-18-9-4-3-5-10-18/h6-8H,2-5,9-11H2,1H3,(H,17,19)(H,20,21)/p-1.
What are the key properties of 3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate?
3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate has a molecular weight of 289.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate is sourced from PubChem (CID 154825525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).