1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride

C13H23ClN4O — CID 120704387

IUPAC1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCCc1nccn1C1CCCN(C(=O)CNC)C1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-3-12-15-6-8-17(12)11-5-4-7-16(10-11)13(18)9-14-2;/h6,8,11,14H,3-5,7,9-10H2,1-2H3;1H
InChIKeyTWGONHLNRQTFGY-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.25
Rot. Bonds4

About 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride

1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride (PubChem CID 120704387) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
PubChem CID120704387
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCCc1nccn1C1CCCN(C(=O)CNC)C1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-3-12-15-6-8-17(12)11-5-4-7-16(10-11)13(18)9-14-2;/h6,8,11,14H,3-5,7,9-10H2,1-2H3;1H
InChIKeyTWGONHLNRQTFGY-UHFFFAOYSA-N
XLogP1.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
(2S)-2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119881387
3-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503836
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119881407
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone
CID 95341954
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 95606545
N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95978600
N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide
CID 128686368
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779716
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119881376

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride (CID 120704387) is 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride is CCc1nccn1C1CCCN(C(=O)CNC)C1.Cl.
What is the InChIKey of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The InChIKey is TWGONHLNRQTFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-3-12-15-6-8-17(12)11-5-4-7-16(10-11)13(18)9-14-2;/h6,8,11,14H,3-5,7,9-10H2,1-2H3;1H.
What are the key properties of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride?
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 120704387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).