5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide

C14H21BrN2OS — CID 60725126

IUPAC5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C14H21BrN2OS/c1-10(2)17-8-6-11(7-9-17)16(3)14(18)12-4-5-13(15)19-12/h4-5,10-11H,6-9H2,1-3H3
InChIKeyWJSRMTKAXKTQEQ-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.46
Rot. Bonds3

About 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide

5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 60725126) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID60725126
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC Name5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C14H21BrN2OS/c1-10(2)17-8-6-11(7-9-17)16(3)14(18)12-4-5-13(15)19-12/h4-5,10-11H,6-9H2,1-3H3
InChIKeyWJSRMTKAXKTQEQ-UHFFFAOYSA-N
XLogP3.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide (CID 60725126) is 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide is CC(C)N1CCC(N(C)C(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is WJSRMTKAXKTQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-10(2)17-8-6-11(7-9-17)16(3)14(18)12-4-5-13(15)19-12/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide?
5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 60725126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).