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

C13H20BrClN2OS — CID 119731612

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
SMILESCN(Cc1cc(Br)cs1)C(=O)CC1CCNCC1.Cl
InChIInChI=1S/C13H19BrN2OS.ClH/c1-16(8-12-7-11(14)9-18-12)13(17)6-10-2-4-15-5-3-10;/h7,9-10,15H,2-6,8H2,1H3;1H
InChIKeyWZAOSZMQDBXYDO-UHFFFAOYSA-N
MW367.74 g/mol
LogP3.28
Rot. Bonds4

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

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119731612) has the molecular formula C13H20BrClN2OS and a molecular weight of 367.74 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
PubChem CID119731612
Molecular FormulaC13H20BrClN2OS
Molecular Weight367.74 g/mol
Exact Mass366.02
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
SMILESCN(Cc1cc(Br)cs1)C(=O)CC1CCNCC1.Cl
InChIInChI=1S/C13H19BrN2OS.ClH/c1-16(8-12-7-11(14)9-18-12)13(17)6-10-2-4-15-5-3-10;/h7,9-10,15H,2-6,8H2,1H3;1H
InChIKeyWZAOSZMQDBXYDO-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 ≤ 500367.74
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62210566
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63876041
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119731625
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide
CID 115160506
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119689284
N-benzyl-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119669861
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119293813
(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61162812
2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
CID 75424655
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 115210042
N-[(5-bromothiophen-3-yl)methyl]-2-cyclobutyl-N-methylacetamide
CID 103707088
1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119905113

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride (CID 119731612) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride is CN(Cc1cc(Br)cs1)C(=O)CC1CCNCC1.Cl.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is WZAOSZMQDBXYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS.ClH/c1-16(8-12-7-11(14)9-18-12)13(17)6-10-2-4-15-5-3-10;/h7,9-10,15H,2-6,8H2,1H3;1H.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 367.74 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 N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119731612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).