2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide

C13H24BrN3O — CID 56794169

IUPAC2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide
SMILESC=C(Br)CN(C)CC1CCN(CC(=O)NC)CC1
InChIInChI=1S/C13H24BrN3O/c1-11(14)8-16(3)9-12-4-6-17(7-5-12)10-13(18)15-2/h12H,1,4-10H2,2-3H3,(H,15,18)
InChIKeyDSPUFBZBEPYNRA-UHFFFAOYSA-N
MW318.26 g/mol
LogP1.28
Rot. Bonds6

About 2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide

2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide (PubChem CID 56794169) has the molecular formula C13H24BrN3O and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide
PubChem CID56794169
Molecular FormulaC13H24BrN3O
Molecular Weight318.26 g/mol
Exact Mass317.11
IUPAC Name2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide
SMILESC=C(Br)CN(C)CC1CCN(CC(=O)NC)CC1
InChIInChI=1S/C13H24BrN3O/c1-11(14)8-16(3)9-12-4-6-17(7-5-12)10-13(18)15-2/h12H,1,4-10H2,2-3H3,(H,15,18)
InChIKeyDSPUFBZBEPYNRA-UHFFFAOYSA-N
XLogP1.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide
CID 111437433
N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide
CID 75381294
ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 142390398
N-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503699
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
N-methyl-2-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]acetamide
CID 65070563
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114802503
ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 142367954
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
4-[(dimethylamino)methyl]-N-methylpiperidine-1-carboxamide
CID 115583877
2-[4-[[(1-benzyl-3-phenylpyrazol-4-yl)methyl-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
CID 155945995

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide (CID 56794169) is 2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide is C=C(Br)CN(C)CC1CCN(CC(=O)NC)CC1.
What is the InChIKey of 2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is DSPUFBZBEPYNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3O/c1-11(14)8-16(3)9-12-4-6-17(7-5-12)10-13(18)15-2/h12H,1,4-10H2,2-3H3,(H,15,18).
What are the key properties of 2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide?
2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 318.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-bromoprop-2-enyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 56794169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).