1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one

C20H26N2O — CID 69033185

IUPAC1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one
SMILESC=CCC1CCN(CCCn2c(=O)ccc3ccccc32)CC1
InChIInChI=1S/C20H26N2O/c1-2-6-17-11-15-21(16-12-17)13-5-14-22-19-8-4-3-7-18(19)9-10-20(22)23/h2-4,7-10,17H,1,5-6,11-16H2
InChIKeyPZFDKPFKTPNQLI-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.68
Rot. Bonds6

About 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one

1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one (PubChem CID 69033185) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one.

Molecular Properties

Compound Name1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one
PubChem CID69033185
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one
SMILESC=CCC1CCN(CCCn2c(=O)ccc3ccccc32)CC1
InChIInChI=1S/C20H26N2O/c1-2-6-17-11-15-21(16-12-17)13-5-14-22-19-8-4-3-7-18(19)9-10-20(22)23/h2-4,7-10,17H,1,5-6,11-16H2
InChIKeyPZFDKPFKTPNQLI-UHFFFAOYSA-N
XLogP3.68
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one?
The IUPAC name of 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one (CID 69033185) is 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one.
What is the SMILES notation for 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one?
The canonical SMILES for 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one is C=CCC1CCN(CCCn2c(=O)ccc3ccccc32)CC1.
What is the InChIKey of 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one?
The InChIKey is PZFDKPFKTPNQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-6-17-11-15-21(16-12-17)13-5-14-22-19-8-4-3-7-18(19)9-10-20(22)23/h2-4,7-10,17H,1,5-6,11-16H2.
What are the key properties of 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one?
1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one has a molecular weight of 310.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one is sourced from PubChem (CID 69033185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).