1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one

C17H22N2O3 — CID 111435932

IUPAC1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one
SMILESO=C(CCN1C(=O)CCc2ccccc21)N1CCC(O)CC1
InChIInChI=1S/C17H22N2O3/c20-14-7-10-18(11-8-14)16(21)9-12-19-15-4-2-1-3-13(15)5-6-17(19)22/h1-4,14,20H,5-12H2
InChIKeyLAGUBAWPAYATGR-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.34
Rot. Bonds3

About 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one

1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one (PubChem CID 111435932) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one
PubChem CID111435932
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one
SMILESO=C(CCN1C(=O)CCc2ccccc21)N1CCC(O)CC1
InChIInChI=1S/C17H22N2O3/c20-14-7-10-18(11-8-14)16(21)9-12-19-15-4-2-1-3-13(15)5-6-17(19)22/h1-4,14,20H,5-12H2
InChIKeyLAGUBAWPAYATGR-UHFFFAOYSA-N
XLogP1.34
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one (CID 111435932) is 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one is O=C(CCN1C(=O)CCc2ccccc21)N1CCC(O)CC1.
What is the InChIKey of 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one?
The InChIKey is LAGUBAWPAYATGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-14-7-10-18(11-8-14)16(21)9-12-19-15-4-2-1-3-13(15)5-6-17(19)22/h1-4,14,20H,5-12H2.
What are the key properties of 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one?
1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 111435932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).