3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide

C15H16BrN3OS — CID 60779524

IUPAC3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)c1sccc1Br
InChIInChI=1S/C15H16BrN3OS/c16-12-6-10-21-14(12)15(20)18-11-4-8-19(9-5-11)13-3-1-2-7-17-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,18,20)
InChIKeyXLPSXHDCGNANBD-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.30
Rot. Bonds3

About 3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide

3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 60779524) has the molecular formula C15H16BrN3OS and a molecular weight of 366.28 g/mol. Its IUPAC name is 3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID60779524
Molecular FormulaC15H16BrN3OS
Molecular Weight366.28 g/mol
Exact Mass365.02
IUPAC Name3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)CC1)c1sccc1Br
InChIInChI=1S/C15H16BrN3OS/c16-12-6-10-21-14(12)15(20)18-11-4-8-19(9-5-11)13-3-1-2-7-17-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,18,20)
InChIKeyXLPSXHDCGNANBD-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120643504
2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99696788
N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112731973
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
6-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 86989964
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 78885519
5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide
CID 99697078
3-[(3-bromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63802421
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide (CID 60779524) is 3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide is O=C(NC1CCN(c2ccccn2)CC1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is XLPSXHDCGNANBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3OS/c16-12-6-10-21-14(12)15(20)18-11-4-8-19(9-5-11)13-3-1-2-7-17-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,18,20).
What are the key properties of 3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 366.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 60779524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).