1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride

C12H22ClN3O2 — CID 119399085

IUPAC1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCN(C(=O)C2CCCC2N)CC1.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-9(16)14-5-7-15(8-6-14)12(17)10-3-2-4-11(10)13;/h10-11H,2-8,13H2,1H3;1H
InChIKeyOKNNVKQIIFQQFG-UHFFFAOYSA-N
MW275.78 g/mol
LogP0.23
Rot. Bonds1

About 1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride

1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 119399085) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID119399085
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC Name1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCN(C(=O)C2CCCC2N)CC1.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-9(16)14-5-7-15(8-6-14)12(17)10-3-2-4-11(10)13;/h10-11H,2-8,13H2,1H3;1H
InChIKeyOKNNVKQIIFQQFG-UHFFFAOYSA-N
XLogP0.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 64823652
[(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone
CID 164661854
(2-aminocyclopentyl)-(4-ethylpiperidin-1-yl)methanone
CID 64823610
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 64823213
(2-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 64823507
(2-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62776127
(2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831874
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one
CID 64851070
4-(2-aminocyclohexanecarbonyl)-N-ethylpiperazine-1-carboxamide
CID 64825150
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759
(2-aminocyclopentyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220787

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride (CID 119399085) is 1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride is CC(=O)N1CCN(C(=O)C2CCCC2N)CC1.Cl.
What is the InChIKey of 1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is OKNNVKQIIFQQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.ClH/c1-9(16)14-5-7-15(8-6-14)12(17)10-3-2-4-11(10)13;/h10-11H,2-8,13H2,1H3;1H.
What are the key properties of 1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride?
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119399085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).