5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide

C14H19BrN2O2S — CID 115683330

IUPAC5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCC(=O)N2CCCCC2)sc1Br
InChIInChI=1S/C14H19BrN2O2S/c1-10-9-11(20-13(10)15)14(19)16-6-5-12(18)17-7-3-2-4-8-17/h9H,2-8H2,1H3,(H,16,19)
InChIKeyLUTGVGHGOXTAQY-UHFFFAOYSA-N
MW359.29 g/mol
LogP2.95
Rot. Bonds4

About 5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide

5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 115683330) has the molecular formula C14H19BrN2O2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
PubChem CID115683330
Molecular FormulaC14H19BrN2O2S
Molecular Weight359.29 g/mol
Exact Mass358.04
IUPAC Name5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCC(=O)N2CCCCC2)sc1Br
InChIInChI=1S/C14H19BrN2O2S/c1-10-9-11(20-13(10)15)14(19)16-6-5-12(18)17-7-3-2-4-8-17/h9H,2-8H2,1H3,(H,16,19)
InChIKeyLUTGVGHGOXTAQY-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 79965307
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 47250893
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 18157094
5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 79964784
5-bromo-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 79964792
N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 103896394
2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107034729
5-bromo-4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-carboxamide
CID 112697589
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
N-[3-(azepan-1-yl)-3-oxopropyl]-2,3-dihydroxy-4-methylbenzamide
CID 167804588
N-[3-(azepan-1-yl)-3-oxopropyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 75371481
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide
CID 115364639

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide (CID 115683330) is 5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCCC(=O)N2CCCCC2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is LUTGVGHGOXTAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2S/c1-10-9-11(20-13(10)15)14(19)16-6-5-12(18)17-7-3-2-4-8-17/h9H,2-8H2,1H3,(H,16,19).
What are the key properties of 5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide?
5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 359.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 115683330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).