4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide

C21H19N3O2 — CID 66815608

IUPAC4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide
SMILESO=C1CCN(c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)CC1
InChIInChI=1S/C21H19N3O2/c25-19-9-11-24(12-10-19)18-7-5-15(6-8-18)21(26)23-17-13-16-3-1-2-4-20(16)22-14-17/h1-8,13-14H,9-12H2,(H,23,26)
InChIKeyJLVXBMIIHBIXLI-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.66
Rot. Bonds3

About 4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide

4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide (PubChem CID 66815608) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide
PubChem CID66815608
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide
SMILESO=C1CCN(c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)CC1
InChIInChI=1S/C21H19N3O2/c25-19-9-11-24(12-10-19)18-7-5-15(6-8-18)21(26)23-17-13-16-3-1-2-4-20(16)22-14-17/h1-8,13-14H,9-12H2,(H,23,26)
InChIKeyJLVXBMIIHBIXLI-UHFFFAOYSA-N
XLogP3.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
CID 66815489
4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide
CID 66815466
4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide
CID 10406295
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
1-methyl-N-quinolin-3-yl-2,3-dihydroindole-5-carboxamide
CID 10447706
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide
CID 5302815
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675
N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 39857899
4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66816166

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide?
The IUPAC name of 4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide (CID 66815608) is 4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide?
The canonical SMILES for 4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide is O=C1CCN(c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)CC1.
What is the InChIKey of 4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide?
The InChIKey is JLVXBMIIHBIXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-19-9-11-24(12-10-19)18-7-5-15(6-8-18)21(26)23-17-13-16-3-1-2-4-20(16)22-14-17/h1-8,13-14H,9-12H2,(H,23,26).
What are the key properties of 4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide?
4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide has a molecular weight of 345.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 66815608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).