4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide

C14H14Br2N2OS — CID 145194357

IUPAC4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CCCNC1)c1cc2c(Br)ccc(Br)c2s1
InChIInChI=1S/C14H14Br2N2OS/c15-10-3-4-11(16)13-9(10)6-12(20-13)14(19)18-8-2-1-5-17-7-8/h3-4,6,8,17H,1-2,5,7H2,(H,18,19)
InChIKeyOUMJEOXABJCUDV-UHFFFAOYSA-N
MW418.15 g/mol
LogP3.91
Rot. Bonds2

About 4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide

4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide (PubChem CID 145194357) has the molecular formula C14H14Br2N2OS and a molecular weight of 418.15 g/mol. Its IUPAC name is 4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
PubChem CID145194357
Molecular FormulaC14H14Br2N2OS
Molecular Weight418.15 g/mol
Exact Mass415.92
IUPAC Name4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CCCNC1)c1cc2c(Br)ccc(Br)c2s1
InChIInChI=1S/C14H14Br2N2OS/c15-10-3-4-11(16)13-9(10)6-12(20-13)14(19)18-8-2-1-5-17-7-8/h3-4,6,8,17H,1-2,5,7H2,(H,18,19)
InChIKeyOUMJEOXABJCUDV-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.15
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866520
4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666
N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540
6-fluoro-N-[(3S)-piperidin-3-yl]-1-benzothiophene-2-carboxamide
CID 104982451
5-methyl-N-piperidin-3-yl-1-benzothiophene-2-carboxamide
CID 145194354
N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745817
2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide
CID 104645323
N-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119425525
1-methyl-N-piperidin-3-yl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119427314
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592

Frequently Asked Questions

What is the IUPAC name of 4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide (CID 145194357) is 4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide is O=C(NC1CCCNC1)c1cc2c(Br)ccc(Br)c2s1.
What is the InChIKey of 4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide?
The InChIKey is OUMJEOXABJCUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2OS/c15-10-3-4-11(16)13-9(10)6-12(20-13)14(19)18-8-2-1-5-17-7-8/h3-4,6,8,17H,1-2,5,7H2,(H,18,19).
What are the key properties of 4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide?
4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide has a molecular weight of 418.15 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dibromo-N-piperidin-3-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 145194357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).