1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one

C15H13FN2O2 — CID 139509915

IUPAC1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C15H13FN2O2/c16-10-1-2-14-13(9-10)12(3-6-17-14)15(20)18-7-4-11(19)5-8-18/h1-3,6,9H,4-5,7-8H2
InChIKeyNWHKGVZGUWCZCX-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.18
Rot. Bonds1

About 1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one

1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one (PubChem CID 139509915) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one
PubChem CID139509915
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C15H13FN2O2/c16-10-1-2-14-13(9-10)12(3-6-17-14)15(20)18-7-4-11(19)5-8-18/h1-3,6,9H,4-5,7-8H2
InChIKeyNWHKGVZGUWCZCX-UHFFFAOYSA-N
XLogP2.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoroquinolin-4-yl)piperidin-4-one
CID 95929822
tert-butyl 1-[1-(6-fluoroquinoline-4-carbonyl)-4-hydroxypiperidin-4-yl]cyclopropane-1-carboxylate
CID 139513228
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone
CID 86911397
4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one
CID 155221485
4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 155270648
(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone
CID 83290736
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
[4-[(3S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(6-fluoroquinolin-4-yl)methanone
CID 59265862
[6-[4-(1-methylpyrazol-4-yl)phenyl]quinolin-4-yl]-piperidin-1-ylmethanone
CID 137490340
7-fluoroquinoline-4-carboxylic acid
CID 18475507
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one?
The IUPAC name of 1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one (CID 139509915) is 1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one is O=C1CCN(C(=O)c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one?
The InChIKey is NWHKGVZGUWCZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-10-1-2-14-13(9-10)12(3-6-17-14)15(20)18-7-4-11(19)5-8-18/h1-3,6,9H,4-5,7-8H2.
What are the key properties of 1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one?
1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one has a molecular weight of 272.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one is sourced from PubChem (CID 139509915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).