5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one

C24H30N2O2 — CID 3060986

IUPAC5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2OCCCN2CCC(Cc3ccccc3)CC2)N1
InChIInChI=1S/C24H30N2O2/c27-24-11-10-21-22(25-24)8-4-9-23(21)28-17-5-14-26-15-12-20(13-16-26)18-19-6-2-1-3-7-19/h1-4,6-9,20H,5,10-18H2,(H,25,27)
InChIKeyZSHZOONYRBYGNV-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.29
Rot. Bonds7

About 5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one

5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3060986) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID3060986
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2OCCCN2CCC(Cc3ccccc3)CC2)N1
InChIInChI=1S/C24H30N2O2/c27-24-11-10-21-22(25-24)8-4-9-23(21)28-17-5-14-26-15-12-20(13-16-26)18-19-6-2-1-3-7-19/h1-4,6-9,20H,5,10-18H2,(H,25,27)
InChIKeyZSHZOONYRBYGNV-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
CID 24845907
5-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899529
4-[2-(4-benzylpiperidin-1-yl)ethoxy]-1,3-dihydrobenzimidazol-2-one
CID 54252384
5-[3-(1-methyl-4-phenylpiperidin-1-ium-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 13064810
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
6-[[1-[3-(2-methylquinolin-5-yl)oxypropyl]piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 10225553
ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate
CID 12821844
8-bromo-5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 21242981
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120862
5-(4-phenyl-1-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20540021
5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 11726587

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 3060986) is 5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(cccc2OCCCN2CCC(Cc3ccccc3)CC2)N1.
What is the InChIKey of 5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZSHZOONYRBYGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-24-11-10-21-22(25-24)8-4-9-23(21)28-17-5-14-26-15-12-20(13-16-26)18-19-6-2-1-3-7-19/h1-4,6-9,20H,5,10-18H2,(H,25,27).
What are the key properties of 5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 378.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3060986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).