1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one

C19H19BrFNO2S — CID 67730383

IUPAC1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one
SMILESO=C(Cc1ccc(Br)s1)CN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19BrFNO2S/c20-18-6-5-17(25-18)11-16(23)12-22-9-7-14(8-10-22)19(24)13-1-3-15(21)4-2-13/h1-6,14H,7-12H2
InChIKeyVWOCIMAQRIUBGE-UHFFFAOYSA-N
MW424.34 g/mol
LogP4.36
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one

1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one (PubChem CID 67730383) has the molecular formula C19H19BrFNO2S and a molecular weight of 424.34 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one
PubChem CID67730383
Molecular FormulaC19H19BrFNO2S
Molecular Weight424.34 g/mol
Exact Mass423.03
IUPAC Name1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one
SMILESO=C(Cc1ccc(Br)s1)CN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19BrFNO2S/c20-18-6-5-17(25-18)11-16(23)12-22-9-7-14(8-10-22)19(24)13-1-3-15(21)4-2-13/h1-6,14H,7-12H2
InChIKeyVWOCIMAQRIUBGE-UHFFFAOYSA-N
XLogP4.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
N-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetamide
CID 43815899
(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
CID 120847748
1-[2-(5-bromothiophen-2-yl)acetyl]piperidine-4-carboxylic acid
CID 119166508
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
CID 11016205
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931
4-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)butan-1-one
CID 71749765
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one
CID 10202833
1-(4-fluorophenyl)-3-(4-propylpiperidin-1-yl)propan-2-one
CID 62206992

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one (CID 67730383) is 1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one is O=C(Cc1ccc(Br)s1)CN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one?
The InChIKey is VWOCIMAQRIUBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFNO2S/c20-18-6-5-17(25-18)11-16(23)12-22-9-7-14(8-10-22)19(24)13-1-3-15(21)4-2-13/h1-6,14H,7-12H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one?
1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one has a molecular weight of 424.34 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-[4-(4-fluorobenzoyl)piperidin-1-yl]propan-2-one is sourced from PubChem (CID 67730383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).