[(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone

C21H18FN3O2 — CID 97127277

IUPAC[(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)[C@@H]1CCCN(C(=O)c2ccc3cccc(F)c3n2)C1
InChIInChI=1S/C21H18FN3O2/c22-17-7-1-4-14-8-9-18(24-19(14)17)21(27)25-11-3-6-16(13-25)20(26)15-5-2-10-23-12-15/h1-2,4-5,7-10,12,16H,3,6,11,13H2/t16-/m1/s1
InChIKeySAPZEBXWENGSPE-MRXNPFEDSA-N
MW363.39 g/mol
LogP3.50
Rot. Bonds3

About [(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone

[(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone (PubChem CID 97127277) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is [(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
PubChem CID97127277
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name[(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)[C@@H]1CCCN(C(=O)c2ccc3cccc(F)c3n2)C1
InChIInChI=1S/C21H18FN3O2/c22-17-7-1-4-14-8-9-18(24-19(14)17)21(27)25-11-3-6-16(13-25)20(26)15-5-2-10-23-12-15/h1-2,4-5,7-10,12,16H,3,6,11,13H2/t16-/m1/s1
InChIKeySAPZEBXWENGSPE-MRXNPFEDSA-N
XLogP3.50
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
CID 70779809
pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone
CID 97193617
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
(8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 97149570
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
[(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 70739483
(9aR)-2-(8-fluoroquinoline-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95131147
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 92570408
(8-aminoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 110487263
1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 16792484
(3R)-1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 30121810

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone (CID 97127277) is [(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)[C@@H]1CCCN(C(=O)c2ccc3cccc(F)c3n2)C1.
What is the InChIKey of [(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone?
The InChIKey is SAPZEBXWENGSPE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-17-7-1-4-14-8-9-18(24-19(14)17)21(27)25-11-3-6-16(13-25)20(26)15-5-2-10-23-12-15/h1-2,4-5,7-10,12,16H,3,6,11,13H2/t16-/m1/s1.
What are the key properties of [(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone?
[(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone has a molecular weight of 363.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 97127277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).