5-piperidin-4-yl-1H-quinolin-4-one

C14H16N2O — CID 67274541

IUPAC5-piperidin-4-yl-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cccc(C3CCNCC3)c12
InChIInChI=1S/C14H16N2O/c17-13-6-9-16-12-3-1-2-11(14(12)13)10-4-7-15-8-5-10/h1-3,6,9-10,15H,4-5,7-8H2,(H,16,17)
InChIKeyVDERHWPNICAFLE-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.00
Rot. Bonds1

About 5-piperidin-4-yl-1H-quinolin-4-one

5-piperidin-4-yl-1H-quinolin-4-one (PubChem CID 67274541) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-piperidin-4-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name5-piperidin-4-yl-1H-quinolin-4-one
PubChem CID67274541
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name5-piperidin-4-yl-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cccc(C3CCNCC3)c12
InChIInChI=1S/C14H16N2O/c17-13-6-9-16-12-3-1-2-11(14(12)13)10-4-7-15-8-5-10/h1-3,6,9-10,15H,4-5,7-8H2,(H,16,17)
InChIKeyVDERHWPNICAFLE-UHFFFAOYSA-N
XLogP2.00
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-1H-quinolin-4-one?
The IUPAC name of 5-piperidin-4-yl-1H-quinolin-4-one (CID 67274541) is 5-piperidin-4-yl-1H-quinolin-4-one.
What is the SMILES notation for 5-piperidin-4-yl-1H-quinolin-4-one?
The canonical SMILES for 5-piperidin-4-yl-1H-quinolin-4-one is O=c1cc[nH]c2cccc(C3CCNCC3)c12.
What is the InChIKey of 5-piperidin-4-yl-1H-quinolin-4-one?
The InChIKey is VDERHWPNICAFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-13-6-9-16-12-3-1-2-11(14(12)13)10-4-7-15-8-5-10/h1-3,6,9-10,15H,4-5,7-8H2,(H,16,17).
What are the key properties of 5-piperidin-4-yl-1H-quinolin-4-one?
5-piperidin-4-yl-1H-quinolin-4-one has a molecular weight of 228.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-1H-quinolin-4-one is sourced from PubChem (CID 67274541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).