2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone

C11H19BrN2O2 — CID 111781062

IUPAC2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESC=C(Br)CN(C)CC(=O)N1CCC(O)CC1
InChIInChI=1S/C11H19BrN2O2/c1-9(12)7-13(2)8-11(16)14-5-3-10(15)4-6-14/h10,15H,1,3-8H2,2H3
InChIKeyCYGCMKSUNDWGAN-UHFFFAOYSA-N
MW291.19 g/mol
LogP0.81
Rot. Bonds4

About 2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone

2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 111781062) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID111781062
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESC=C(Br)CN(C)CC(=O)N1CCC(O)CC1
InChIInChI=1S/C11H19BrN2O2/c1-9(12)7-13(2)8-11(16)14-5-3-10(15)4-6-14/h10,15H,1,3-8H2,2H3
InChIKeyCYGCMKSUNDWGAN-UHFFFAOYSA-N
XLogP0.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
2-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylacetamide
CID 146094477
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
N-ethyl-4-hydroxy-N-methylpiperidine-1-carboxamide
CID 79160344
1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 62658956
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459
2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 62332786
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbut-3-en-1-one
CID 130920541
2-[[2-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 63574037
ethane;4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 177000200
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]formamide
CID 142971251

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone (CID 111781062) is 2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone is C=C(Br)CN(C)CC(=O)N1CCC(O)CC1.
What is the InChIKey of 2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is CYGCMKSUNDWGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-9(12)7-13(2)8-11(16)14-5-3-10(15)4-6-14/h10,15H,1,3-8H2,2H3.
What are the key properties of 2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone?
2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 291.19 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromoprop-2-enyl(methyl)amino]-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 111781062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).