2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone

C16H17FN2O — CID 110490426

IUPAC2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cc1ccc2cc(F)ccc2n1)N1CCCCC1
InChIInChI=1S/C16H17FN2O/c17-13-5-7-15-12(10-13)4-6-14(18-15)11-16(20)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9,11H2
InChIKeyZPOTUMIXLPNNJU-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.93
Rot. Bonds2

About 2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone

2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone (PubChem CID 110490426) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone
PubChem CID110490426
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone
SMILESO=C(Cc1ccc2cc(F)ccc2n1)N1CCCCC1
InChIInChI=1S/C16H17FN2O/c17-13-5-7-15-12(10-13)4-6-14(18-15)11-16(20)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9,11H2
InChIKeyZPOTUMIXLPNNJU-UHFFFAOYSA-N
XLogP2.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone
CID 82547452
2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone
CID 110490371
2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 110451190
3-(6-fluoroquinolin-2-yl)propanoic acid
CID 82242044
2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid
CID 82245506
2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 110490393
2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid
CID 110490402
2-(6-fluoroquinolin-2-yl)-N-(2-hydroxypropyl)acetamide
CID 110490409
2-[4-(2,4-difluorophenyl)phenyl]-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]acetamide
CID 139923879
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103295107
1,4-diazepan-1-yl-(6-fluoroquinolin-2-yl)methanone
CID 110464458
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103295091

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone (CID 110490426) is 2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone is O=C(Cc1ccc2cc(F)ccc2n1)N1CCCCC1.
What is the InChIKey of 2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone?
The InChIKey is ZPOTUMIXLPNNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-13-5-7-15-12(10-13)4-6-14(18-15)11-16(20)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9,11H2.
What are the key properties of 2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone?
2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone has a molecular weight of 272.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 110490426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).