1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

C23H26N2O3 — CID 14969536

IUPAC1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-2-28-20-10-7-18(8-11-20)23(27)24-15-13-19(14-16-24)25-21-6-4-3-5-17(21)9-12-22(25)26/h3-8,10-11,19H,2,9,12-16H2,1H3
InChIKeyVNILDMRWMFJETB-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.67
Rot. Bonds4

About 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (PubChem CID 14969536) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
PubChem CID14969536
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-2-28-20-10-7-18(8-11-20)23(27)24-15-13-19(14-16-24)25-21-6-4-3-5-17(21)9-12-22(25)26/h3-8,10-11,19H,2,9,12-16H2,1H3
InChIKeyVNILDMRWMFJETB-UHFFFAOYSA-N
XLogP3.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (CID 14969536) is 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is CCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is VNILDMRWMFJETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-2-28-20-10-7-18(8-11-20)23(27)24-15-13-19(14-16-24)25-21-6-4-3-5-17(21)9-12-22(25)26/h3-8,10-11,19H,2,9,12-16H2,1H3.
What are the key properties of 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 14969536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).