2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride

C12H22Cl2N4O — CID 119881391

IUPAC2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
SMILESCCc1nccn1C1CCCN(C(=O)CN)C1.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-2-11-14-5-7-16(11)10-4-3-6-15(9-10)12(17)8-13;;/h5,7,10H,2-4,6,8-9,13H2,1H3;2*1H
InChIKeyRSNYZSACSNTHSO-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.41
Rot. Bonds3

About 2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride

2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride (PubChem CID 119881391) has the molecular formula C12H22Cl2N4O and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
PubChem CID119881391
Molecular FormulaC12H22Cl2N4O
Molecular Weight309.24 g/mol
Exact Mass308.12
IUPAC Name2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
SMILESCCc1nccn1C1CCCN(C(=O)CN)C1.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-2-11-14-5-7-16(11)10-4-3-6-15(9-10)12(17)8-13;;/h5,7,10H,2-4,6,8-9,13H2,1H3;2*1H
InChIKeyRSNYZSACSNTHSO-UHFFFAOYSA-N
XLogP1.41
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
(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-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone
CID 95341954
(3-aminocyclopentyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881362
[4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 120941407
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779716
1-[(2S)-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606561
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081545

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride (CID 119881391) is 2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride is CCc1nccn1C1CCCN(C(=O)CN)C1.Cl.Cl.
What is the InChIKey of 2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride?
The InChIKey is RSNYZSACSNTHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.2ClH/c1-2-11-14-5-7-16(11)10-4-3-6-15(9-10)12(17)8-13;;/h5,7,10H,2-4,6,8-9,13H2,1H3;2*1H.
What are the key properties of 2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride?
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119881391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).