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

C23H28N2O3 — CID 3061016

IUPAC5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2OCCCN2CCC(O)(c3ccccc3)CC2)N1
InChIInChI=1S/C23H28N2O3/c26-22-11-10-19-20(24-22)8-4-9-21(19)28-17-5-14-25-15-12-23(27,13-16-25)18-6-2-1-3-7-18/h1-4,6-9,27H,5,10-17H2,(H,24,26)
InChIKeyBFEQDZNCCKMXOP-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.32
Rot. Bonds6

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

5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3061016) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID3061016
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2OCCCN2CCC(O)(c3ccccc3)CC2)N1
InChIInChI=1S/C23H28N2O3/c26-22-11-10-19-20(24-22)8-4-9-21(19)28-17-5-14-25-15-12-23(27,13-16-25)18-6-2-1-3-7-18/h1-4,6-9,27H,5,10-17H2,(H,24,26)
InChIKeyBFEQDZNCCKMXOP-UHFFFAOYSA-N
XLogP3.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 3061016) is 5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(cccc2OCCCN2CCC(O)(c3ccccc3)CC2)N1.
What is the InChIKey of 5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BFEQDZNCCKMXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-22-11-10-19-20(24-22)8-4-9-21(19)28-17-5-14-25-15-12-23(27,13-16-25)18-6-2-1-3-7-18/h1-4,6-9,27H,5,10-17H2,(H,24,26).
What are the key properties of 5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3061016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).