1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone

C15H18FNO2 — CID 172595555

IUPAC1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C(=O)C2=CC=C(F)CC=C2)CC1
InChIInChI=1S/C15H18FNO2/c1-11(18)12-7-9-17(10-8-12)15(19)13-3-2-4-14(16)6-5-13/h2-3,5-6,12H,4,7-10H2,1H3
InChIKeyAZNYBGOOASZIKG-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.55
Rot. Bonds2

About 1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone

1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone (PubChem CID 172595555) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone
PubChem CID172595555
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C(=O)C2=CC=C(F)CC=C2)CC1
InChIInChI=1S/C15H18FNO2/c1-11(18)12-7-9-17(10-8-12)15(19)13-3-2-4-14(16)6-5-13/h2-3,5-6,12H,4,7-10H2,1H3
InChIKeyAZNYBGOOASZIKG-UHFFFAOYSA-N
XLogP2.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]-2-methylpropan-1-one
CID 142811000
(4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 143189846
4-acetylpiperidine-1-carboxylic acid
CID 22135578
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
CID 84581067
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
1-[1-(4-acetylbenzoyl)pyrrolidin-3-yl]ethanone
CID 166872082
ethane;1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]ethanone
CID 145399194
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone
CID 63846321
(4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone
CID 141328383
1-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 33464627
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone
CID 116789445

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone (CID 172595555) is 1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(C(=O)C2=CC=C(F)CC=C2)CC1.
What is the InChIKey of 1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone?
The InChIKey is AZNYBGOOASZIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-11(18)12-7-9-17(10-8-12)15(19)13-3-2-4-14(16)6-5-13/h2-3,5-6,12H,4,7-10H2,1H3.
What are the key properties of 1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone?
1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone has a molecular weight of 263.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 172595555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).