N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide

C13H17BrN2O2S — CID 113223577

IUPACN-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2sccc2Br)CC1
InChIInChI=1S/C13H17BrN2O2S/c1-9(17)15-8-10-2-5-16(6-3-10)13(18)12-11(14)4-7-19-12/h4,7,10H,2-3,5-6,8H2,1H3,(H,15,17)
InChIKeyWSYQKGKMIPYWER-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.50
Rot. Bonds3

About N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide

N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide (PubChem CID 113223577) has the molecular formula C13H17BrN2O2S and a molecular weight of 345.26 g/mol. Its IUPAC name is N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide
PubChem CID113223577
Molecular FormulaC13H17BrN2O2S
Molecular Weight345.26 g/mol
Exact Mass344.02
IUPAC NameN-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2sccc2Br)CC1
InChIInChI=1S/C13H17BrN2O2S/c1-9(17)15-8-10-2-5-16(6-3-10)13(18)12-11(14)4-7-19-12/h4,7,10H,2-3,5-6,8H2,1H3,(H,15,17)
InChIKeyWSYQKGKMIPYWER-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

[4-(2-bromoethoxy)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone
CID 82701558
(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562122
1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 60777066
N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide
CID 106544352
(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62613244
(3-bromothiophen-2-yl)-[3-(2-chloroethyl)pyrrolidin-1-yl]methanone
CID 114801052
(3-bromothiophen-2-yl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839081
(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871811
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone;hydrochloride
CID 119519075
(3-bromopyrrolidin-1-yl)-(3-bromothiophen-2-yl)methanone
CID 80677244
N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
CID 103754890

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide (CID 113223577) is N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2sccc2Br)CC1.
What is the InChIKey of N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is WSYQKGKMIPYWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2S/c1-9(17)15-8-10-2-5-16(6-3-10)13(18)12-11(14)4-7-19-12/h4,7,10H,2-3,5-6,8H2,1H3,(H,15,17).
What are the key properties of N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 345.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 113223577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).