N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide

C13H19BrN2OS — CID 134809038

IUPACN-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide
SMILESCC(=O)NC1(C)CCCN(Cc2cc(Br)cs2)C1
InChIInChI=1S/C13H19BrN2OS/c1-10(17)15-13(2)4-3-5-16(9-13)7-12-6-11(14)8-18-12/h6,8H,3-5,7,9H2,1-2H3,(H,15,17)
InChIKeyCTWAGSPHVYVWKN-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.00
Rot. Bonds3

About N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide

N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide (PubChem CID 134809038) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide
PubChem CID134809038
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC NameN-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide
SMILESCC(=O)NC1(C)CCCN(Cc2cc(Br)cs2)C1
InChIInChI=1S/C13H19BrN2OS/c1-10(17)15-13(2)4-3-5-16(9-13)7-12-6-11(14)8-18-12/h6,8H,3-5,7,9H2,1-2H3,(H,15,17)
InChIKeyCTWAGSPHVYVWKN-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Acetyl-4-[(5-bromo-2-thienyl)methyl]piperazine
CID 743462
3-[(4-Bromothiophen-2-yl)methyl-methylamino]propanamide
CID 45826392
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
2-[[2-[(4-Bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 47364268
2-[[2-[(4-Bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide
CID 47364291
2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 75424656
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 81489561
N-[(4-bromothiophen-2-yl)methyl]acetamide
CID 24974631
1-[4-[(5-Bromothiophen-2-yl)methyl]piperazin-1-yl]-2-sulfanylethanone
CID 145998231
N-[(4-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 62576060
2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79805498
2-amino-N-[(4-bromothiophen-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79811468

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide?
The IUPAC name of N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide (CID 134809038) is N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide is CC(=O)NC1(C)CCCN(Cc2cc(Br)cs2)C1.
What is the InChIKey of N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide?
The InChIKey is CTWAGSPHVYVWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-10(17)15-13(2)4-3-5-16(9-13)7-12-6-11(14)8-18-12/h6,8H,3-5,7,9H2,1-2H3,(H,15,17).
What are the key properties of N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide?
N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide has a molecular weight of 331.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromothiophen-2-yl)methyl]-3-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 134809038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).