3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide

C14H21BrN2OS — CID 154779305

IUPAC3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide
SMILESCCN1CCCC(CNC(=O)c2sc(C)cc2Br)C1
InChIInChI=1S/C14H21BrN2OS/c1-3-17-6-4-5-11(9-17)8-16-14(18)13-12(15)7-10(2)19-13/h7,11H,3-6,8-9H2,1-2H3,(H,16,18)
InChIKeyYYZMFKBOLRBNOS-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.28
Rot. Bonds4

About 3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide

3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 154779305) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is 3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID154779305
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC Name3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide
SMILESCCN1CCCC(CNC(=O)c2sc(C)cc2Br)C1
InChIInChI=1S/C14H21BrN2OS/c1-3-17-6-4-5-11(9-17)8-16-14(18)13-12(15)7-10(2)19-13/h7,11H,3-6,8-9H2,1-2H3,(H,16,18)
InChIKeyYYZMFKBOLRBNOS-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226
5-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 56702364
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide
CID 103872708
2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 94811143
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide
CID 95227494
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484
3-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzamide
CID 107872280
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 94824651
N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 56707406
1-[(1-ethylpiperidin-3-yl)methyl]-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111522955

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide (CID 154779305) is 3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide is CCN1CCCC(CNC(=O)c2sc(C)cc2Br)C1.
What is the InChIKey of 3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is YYZMFKBOLRBNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-3-17-6-4-5-11(9-17)8-16-14(18)13-12(15)7-10(2)19-13/h7,11H,3-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of 3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide?
3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 154779305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).