2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one

C22H22N2O3 — CID 11653435

IUPAC2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H22N2O3/c25-17-6-7-19-18(13-17)21(26)14-20(23-19)22(27)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13-14,16,25H,8-12H2,(H,23,26)
InChIKeyWSQIXOAHSYKTPB-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.33
Rot. Bonds3

About 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one

2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one (PubChem CID 11653435) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one
PubChem CID11653435
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H22N2O3/c25-17-6-7-19-18(13-17)21(26)14-20(23-19)22(27)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13-14,16,25H,8-12H2,(H,23,26)
InChIKeyWSQIXOAHSYKTPB-UHFFFAOYSA-N
XLogP3.33
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one?
The IUPAC name of 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one (CID 11653435) is 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one?
The canonical SMILES for 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one is O=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one?
The InChIKey is WSQIXOAHSYKTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-17-6-7-19-18(13-17)21(26)14-20(23-19)22(27)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13-14,16,25H,8-12H2,(H,23,26).
What are the key properties of 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one?
2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one has a molecular weight of 362.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidine-1-carbonyl)-6-hydroxy-1H-quinolin-4-one is sourced from PubChem (CID 11653435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).