6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one

C22H22N2O4 — CID 11530965

IUPAC6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C22H22N2O4/c25-16-6-7-19-18(12-16)21(26)13-20(23-19)22(27)24-10-8-15(9-11-24)14-28-17-4-2-1-3-5-17/h1-7,12-13,15,25H,8-11,14H2,(H,23,26)
InChIKeyZBCDSXQAMHZQGM-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.16
Rot. Bonds4

About 6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one

6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 11530965) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID11530965
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C22H22N2O4/c25-16-6-7-19-18(12-16)21(26)13-20(23-19)22(27)24-10-8-15(9-11-24)14-28-17-4-2-1-3-5-17/h1-7,12-13,15,25H,8-11,14H2,(H,23,26)
InChIKeyZBCDSXQAMHZQGM-UHFFFAOYSA-N
XLogP3.16
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-2-yl-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037973
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
7-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 134226578
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906
4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid
CID 21327275
(4-morpholin-4-yl-2-pyridinyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 136534504
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119304918
1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-phenoxyethanone
CID 53150450
[4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone
CID 143770271

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one (CID 11530965) is 6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one is O=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(COc2ccccc2)CC1.
What is the InChIKey of 6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is ZBCDSXQAMHZQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-16-6-7-19-18(12-16)21(26)13-20(23-19)22(27)24-10-8-15(9-11-24)14-28-17-4-2-1-3-5-17/h1-7,12-13,15,25H,8-11,14H2,(H,23,26).
What are the key properties of 6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one?
6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 378.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 11530965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).