3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one

C17H20N2O2 — CID 53174639

IUPAC3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one
SMILESO=C(CCc1cc2ccccc2[nH]c1=O)N1CCCCC1
InChIInChI=1S/C17H20N2O2/c20-16(19-10-4-1-5-11-19)9-8-14-12-13-6-2-3-7-15(13)18-17(14)21/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,21)
InChIKeyRLCYZPNXGGNEES-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.47
Rot. Bonds3

About 3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one

3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one (PubChem CID 53174639) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one
PubChem CID53174639
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one
SMILESO=C(CCc1cc2ccccc2[nH]c1=O)N1CCCCC1
InChIInChI=1S/C17H20N2O2/c20-16(19-10-4-1-5-11-19)9-8-14-12-13-6-2-3-7-15(13)18-17(14)21/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,21)
InChIKeyRLCYZPNXGGNEES-UHFFFAOYSA-N
XLogP2.47
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one?
The IUPAC name of 3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one (CID 53174639) is 3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one?
The canonical SMILES for 3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one is O=C(CCc1cc2ccccc2[nH]c1=O)N1CCCCC1.
What is the InChIKey of 3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one?
The InChIKey is RLCYZPNXGGNEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16(19-10-4-1-5-11-19)9-8-14-12-13-6-2-3-7-15(13)18-17(14)21/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,21).
What are the key properties of 3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one?
3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one is sourced from PubChem (CID 53174639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).