4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide

C18H18BrFN2O2S — CID 71806882

IUPAC4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1cc(Br)cs1
InChIInChI=1S/C18H18BrFN2O2S/c19-13-9-16(25-11-13)17(23)21-10-12-5-7-22(8-6-12)18(24)14-3-1-2-4-15(14)20/h1-4,9,11-12H,5-8,10H2,(H,21,23)
InChIKeyKCPSTONPQXIWRV-UHFFFAOYSA-N
MW425.32 g/mol
LogP3.93
Rot. Bonds4

About 4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide

4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 71806882) has the molecular formula C18H18BrFN2O2S and a molecular weight of 425.32 g/mol. Its IUPAC name is 4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
PubChem CID71806882
Molecular FormulaC18H18BrFN2O2S
Molecular Weight425.32 g/mol
Exact Mass424.03
IUPAC Name4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1cc(Br)cs1
InChIInChI=1S/C18H18BrFN2O2S/c19-13-9-16(25-11-13)17(23)21-10-12-5-7-22(8-6-12)18(24)14-3-1-2-4-15(14)20/h1-4,9,11-12H,5-8,10H2,(H,21,23)
InChIKeyKCPSTONPQXIWRV-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 71806878
4-[[(4-bromothiophene-2-carbonyl)amino]methyl]-N-tert-butylpiperidine-1-carboxamide
CID 71806763
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 80667822
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110661954
(4-aminopiperidin-1-yl)-(4-bromothiophen-2-yl)methanone
CID 83558896
N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide
CID 106544352
5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 47080623
(4-bromothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538654
5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46467777
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide (CID 71806882) is 4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide is O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is KCPSTONPQXIWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2S/c19-13-9-16(25-11-13)17(23)21-10-12-5-7-22(8-6-12)18(24)14-3-1-2-4-15(14)20/h1-4,9,11-12H,5-8,10H2,(H,21,23).
What are the key properties of 4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide?
4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 425.32 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71806882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).