[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate

C23H24N2O4 — CID 14969523

IUPAC[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C23H24N2O4/c1-16(26)29-20-9-6-18(7-10-20)23(28)24-14-12-19(13-15-24)25-21-5-3-2-4-17(21)8-11-22(25)27/h2-7,9-10,19H,8,11-15H2,1H3
InChIKeyBTPYOUZRBQENFS-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.20
Rot. Bonds3

About [4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate

[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate (PubChem CID 14969523) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate
PubChem CID14969523
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C23H24N2O4/c1-16(26)29-20-9-6-18(7-10-20)23(28)24-14-12-19(13-15-24)25-21-5-3-2-4-17(21)8-11-22(25)27/h2-7,9-10,19H,8,11-15H2,1H3
InChIKeyBTPYOUZRBQENFS-UHFFFAOYSA-N
XLogP3.20
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate?
The IUPAC name of [4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate (CID 14969523) is [4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate.
What is the SMILES notation for [4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate?
The canonical SMILES for [4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1.
What is the InChIKey of [4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate?
The InChIKey is BTPYOUZRBQENFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16(26)29-20-9-6-18(7-10-20)23(28)24-14-12-19(13-15-24)25-21-5-3-2-4-17(21)8-11-22(25)27/h2-7,9-10,19H,8,11-15H2,1H3.
What are the key properties of [4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate?
[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate has a molecular weight of 392.46 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate is sourced from PubChem (CID 14969523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).