[1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone

C16H16FN3O2 — CID 58485469

IUPAC[1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(C(=O)n2ccnc2)C1
InChIInChI=1S/C16H16FN3O2/c17-14-5-3-12(4-6-14)15(21)19-8-1-2-13(10-19)16(22)20-9-7-18-11-20/h3-7,9,11,13H,1-2,8,10H2
InChIKeyCQFCOLBTLRXYLH-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.21
Rot. Bonds2

About [1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone

[1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone (PubChem CID 58485469) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is [1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone
PubChem CID58485469
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name[1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(C(=O)n2ccnc2)C1
InChIInChI=1S/C16H16FN3O2/c17-14-5-3-12(4-6-14)15(21)19-8-1-2-13(10-19)16(22)20-9-7-18-11-20/h3-7,9,11,13H,1-2,8,10H2
InChIKeyCQFCOLBTLRXYLH-UHFFFAOYSA-N
XLogP2.21
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
(2S)-1-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365938
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
1-(azepan-1-yl)-2-[4-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 55466088

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone?
The IUPAC name of [1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone (CID 58485469) is [1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone is O=C(c1ccc(F)cc1)N1CCCC(C(=O)n2ccnc2)C1.
What is the InChIKey of [1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone?
The InChIKey is CQFCOLBTLRXYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-14-5-3-12(4-6-14)15(21)19-8-1-2-13(10-19)16(22)20-9-7-18-11-20/h3-7,9,11,13H,1-2,8,10H2.
What are the key properties of [1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone?
[1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone has a molecular weight of 301.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorobenzoyl)piperidin-3-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 58485469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).