5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide

C20H23BrN2O3S — CID 55832880

IUPAC5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C20H23BrN2O3S/c1-13(22-19(25)16-7-8-17(21)27-16)20(26)23-11-9-15(10-12-23)18(24)14-5-3-2-4-6-14/h2-8,13,15,18,24H,9-12H2,1H3,(H,22,25)
InChIKeyQIKLIPCDQMXJJX-UHFFFAOYSA-N
MW451.39 g/mol
LogP3.60
Rot. Bonds5

About 5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide

5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55832880) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is 5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID55832880
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC Name5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C20H23BrN2O3S/c1-13(22-19(25)16-7-8-17(21)27-16)20(26)23-11-9-15(10-12-23)18(24)14-5-3-2-4-6-14/h2-8,13,15,18,24H,9-12H2,1H3,(H,22,25)
InChIKeyQIKLIPCDQMXJJX-UHFFFAOYSA-N
XLogP3.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119520209
N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55590117
5-bromo-N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 111561729
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119412744
5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 55851168
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
1-[2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 102559913
(2R)-1-[(2S)-2-[(5-bromothiophene-2-carbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 99639632
5-bromo-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119492735
5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55823915
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide
CID 63523885

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55832880) is 5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(Br)s1)C(=O)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is QIKLIPCDQMXJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c1-13(22-19(25)16-7-8-17(21)27-16)20(26)23-11-9-15(10-12-23)18(24)14-5-3-2-4-6-14/h2-8,13,15,18,24H,9-12H2,1H3,(H,22,25).
What are the key properties of 5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 451.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55832880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).