1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride

C13H24ClN3O2 — CID 119399092

IUPAC1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCN(C(=O)C2CCCC(N)C2)CC1.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-10(17)15-5-7-16(8-6-15)13(18)11-3-2-4-12(14)9-11;/h11-12H,2-9,14H2,1H3;1H
InChIKeyLLBBNVSBKQRMBD-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.62
Rot. Bonds1

About 1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride

1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 119399092) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID119399092
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCN(C(=O)C2CCCC(N)C2)CC1.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-10(17)15-5-7-16(8-6-15)13(18)11-3-2-4-12(14)9-11;/h11-12H,2-9,14H2,1H3;1H
InChIKeyLLBBNVSBKQRMBD-UHFFFAOYSA-N
XLogP0.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119755471
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
(3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119899892
(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63046105
(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55134344

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride (CID 119399092) is 1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride is CC(=O)N1CCN(C(=O)C2CCCC(N)C2)CC1.Cl.
What is the InChIKey of 1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is LLBBNVSBKQRMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c1-10(17)15-5-7-16(8-6-15)13(18)11-3-2-4-12(14)9-11;/h11-12H,2-9,14H2,1H3;1H.
What are the key properties of 1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride?
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119399092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).