N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide

C14H21BrN2OS — CID 62210566

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
SMILESCN(Cc1cc(Br)cs1)C(=O)CCC1CCNCC1
InChIInChI=1S/C14H21BrN2OS/c1-17(9-13-8-12(15)10-19-13)14(18)3-2-11-4-6-16-7-5-11/h8,10-11,16H,2-7,9H2,1H3
InChIKeyWBKAIYYNVKIGMV-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.25
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide (PubChem CID 62210566) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
PubChem CID62210566
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
SMILESCN(Cc1cc(Br)cs1)C(=O)CCC1CCNCC1
InChIInChI=1S/C14H21BrN2OS/c1-17(9-13-8-12(15)10-19-13)14(18)3-2-11-4-6-16-7-5-11/h8,10-11,16H,2-7,9H2,1H3
InChIKeyWBKAIYYNVKIGMV-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.25
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
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-yloxyacetamide
CID 63876041
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide
CID 62212128
N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62211961
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119731625
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 55028858
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide
CID 115160506
N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62210732
2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid
CID 62212379
N-[2-(dimethylamino)ethyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 55227726
(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61162812
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 115210042

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide (CID 62210566) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide is CN(Cc1cc(Br)cs1)C(=O)CCC1CCNCC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide?
The InChIKey is WBKAIYYNVKIGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-17(9-13-8-12(15)10-19-13)14(18)3-2-11-4-6-16-7-5-11/h8,10-11,16H,2-7,9H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide has a molecular weight of 345.31 g/mol, XLogP of 3.25, 5 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-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62210566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).