(8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone

C18H21FN2O2 — CID 97149570

IUPAC(8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@@H]1CCCN(C(=O)c2ccc3cccc(F)c3n2)C1
InChIInChI=1S/C18H21FN2O2/c1-2-11-23-14-6-4-10-21(12-14)18(22)16-9-8-13-5-3-7-15(19)17(13)20-16/h3,5,7-9,14H,2,4,6,10-12H2,1H3/t14-/m1/s1
InChIKeyOKLILSSBCDPELV-CQSZACIVSA-N
MW316.38 g/mol
LogP3.41
Rot. Bonds4

About (8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone

(8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone (PubChem CID 97149570) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
PubChem CID97149570
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
SMILESCCCO[C@@H]1CCCN(C(=O)c2ccc3cccc(F)c3n2)C1
InChIInChI=1S/C18H21FN2O2/c1-2-11-23-14-6-4-10-21(12-14)18(22)16-9-8-13-5-3-7-15(19)17(13)20-16/h3,5,7-9,14H,2,4,6,10-12H2,1H3/t14-/m1/s1
InChIKeyOKLILSSBCDPELV-CQSZACIVSA-N
XLogP3.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 62233136
(7-fluoro-3-methyl-1-benzofuran-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 45171032
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335
(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 62512361
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone
CID 70781091
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 99983565
6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748316
[(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
CID 97127277
(3-ethoxypiperidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 62233605
N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide
CID 77096220

Frequently Asked Questions

What is the IUPAC name of (8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone?
The IUPAC name of (8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone (CID 97149570) is (8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone.
What is the SMILES notation for (8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone?
The canonical SMILES for (8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone is CCCO[C@@H]1CCCN(C(=O)c2ccc3cccc(F)c3n2)C1.
What is the InChIKey of (8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone?
The InChIKey is OKLILSSBCDPELV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-2-11-23-14-6-4-10-21(12-14)18(22)16-9-8-13-5-3-7-15(19)17(13)20-16/h3,5,7-9,14H,2,4,6,10-12H2,1H3/t14-/m1/s1.
What are the key properties of (8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone?
(8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoroquinolin-2-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone is sourced from PubChem (CID 97149570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).