N-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide

C19H29BrN2O2S — CID 86873854

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)CN1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C19H29BrN2O2S/c1-21(12-18-11-15(20)14-25-18)19(23)13-22-9-7-17(8-10-22)24-16-5-3-2-4-6-16/h11,14,16-17H,2-10,12-13H2,1H3
InChIKeyCTDKRPOOFRRANE-UHFFFAOYSA-N
MW429.42 g/mol
LogP4.28
Rot. Bonds6

About N-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide

N-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide (PubChem CID 86873854) has the molecular formula C19H29BrN2O2S and a molecular weight of 429.42 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide
PubChem CID86873854
Molecular FormulaC19H29BrN2O2S
Molecular Weight429.42 g/mol
Exact Mass428.11
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)CN1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C19H29BrN2O2S/c1-21(12-18-11-15(20)14-25-18)19(23)13-22-9-7-17(8-10-22)24-16-5-3-2-4-6-16/h11,14,16-17H,2-10,12-13H2,1H3
InChIKeyCTDKRPOOFRRANE-UHFFFAOYSA-N
XLogP4.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide
CID 78903323
1-[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119905113
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
CID 120774190
N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide
CID 79160058
(3R)-1-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120312
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide
CID 115160506
2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide
CID 79328638
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide
CID 110015284
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119731612
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62210566
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
3-[[2-[(4-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119912395

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide (CID 86873854) is N-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide is CN(Cc1cc(Br)cs1)C(=O)CN1CCC(OC2CCCCC2)CC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide?
The InChIKey is CTDKRPOOFRRANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN2O2S/c1-21(12-18-11-15(20)14-25-18)19(23)13-22-9-7-17(8-10-22)24-16-5-3-2-4-6-16/h11,14,16-17H,2-10,12-13H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide?
N-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide has a molecular weight of 429.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-(4-cyclohexyloxypiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 86873854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).