N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide

C13H19BrN2OS — CID 115160506

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)CC1CCCCN1
InChIInChI=1S/C13H19BrN2OS/c1-16(8-12-6-10(14)9-18-12)13(17)7-11-4-2-3-5-15-11/h6,9,11,15H,2-5,7-8H2,1H3
InChIKeyDNOAPWIDHWNUEO-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.00
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide (PubChem CID 115160506) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide
PubChem CID115160506
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)CC1CCCCN1
InChIInChI=1S/C13H19BrN2OS/c1-16(8-12-6-10(14)9-18-12)13(17)7-11-4-2-3-5-15-11/h6,9,11,15H,2-5,7-8H2,1H3
InChIKeyDNOAPWIDHWNUEO-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119731612
(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61162812
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119293813
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 115209426
N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide
CID 115160465
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62210566
2-[2-(4-bromothiophen-2-yl)ethyl]azepane
CID 107355607
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63876041
N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370210
N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681708
N-(cyclobutylmethyl)-N-methyl-2-piperidin-2-ylacetamide
CID 115160515
N-(2-hydroxypropyl)-N-methyl-2-piperidin-2-ylacetamide
CID 62336961

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide (CID 115160506) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide is CN(Cc1cc(Br)cs1)C(=O)CC1CCCCN1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide?
The InChIKey is DNOAPWIDHWNUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-16(8-12-6-10(14)9-18-12)13(17)7-11-4-2-3-5-15-11/h6,9,11,15H,2-5,7-8H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide has a molecular weight of 331.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide is sourced from PubChem (CID 115160506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).