3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide

C19H23N3O2 — CID 108952272

IUPAC3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
SMILESCCC1CCCCN1C(=O)CC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C19H23N3O2/c1-2-15-9-3-4-12-22(15)18(24)13-17(23)21-16-10-5-7-14-8-6-11-20-19(14)16/h5-8,10-11,15H,2-4,9,12-13H2,1H3,(H,21,23)
InChIKeyHPIAOVQEKFPJQK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.35
Rot. Bonds4

About 3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide

3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide (PubChem CID 108952272) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
PubChem CID108952272
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
SMILESCCC1CCCCN1C(=O)CC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C19H23N3O2/c1-2-15-9-3-4-12-22(15)18(24)13-17(23)21-16-10-5-7-14-8-6-11-20-19(14)16/h5-8,10-11,15H,2-4,9,12-13H2,1H3,(H,21,23)
InChIKeyHPIAOVQEKFPJQK-UHFFFAOYSA-N
XLogP3.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide 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-ethylpiperidin-1-yl)-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone
CID 109288565
5-(2-ethylpiperidin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109196298
4-(2-ethylpiperidin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218076
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
5-(2-ethylpiperidin-1-yl)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109288658
ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
CID 108950376
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952246
N-quinolin-8-ylhex-3-enamide
CID 151663814
(2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 94652787
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
CID 108953424
N-(2,3-dimethylphenyl)-2-[4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8694491

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide (CID 108952272) is 3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide is CCC1CCCCN1C(=O)CC(=O)Nc1cccc2cccnc12.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide?
The InChIKey is HPIAOVQEKFPJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-15-9-3-4-12-22(15)18(24)13-17(23)21-16-10-5-7-14-8-6-11-20-19(14)16/h5-8,10-11,15H,2-4,9,12-13H2,1H3,(H,21,23).
What are the key properties of 3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide?
3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide has a molecular weight of 325.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 108952272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).