1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone

C13H23N3O2 — CID 60894221

IUPAC1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCC(N)CC2)CC1
InChIInChI=1S/C13H23N3O2/c1-10(17)15-6-8-16(9-7-15)13(18)11-2-4-12(14)5-3-11/h11-12H,2-9,14H2,1H3
InChIKeyGYJFRFMEBTXJFX-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.19
Rot. Bonds1

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

1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone (PubChem CID 60894221) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
PubChem CID60894221
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2CCC(N)CC2)CC1
InChIInChI=1S/C13H23N3O2/c1-10(17)15-6-8-16(9-7-15)13(18)11-2-4-12(14)5-3-11/h11-12H,2-9,14H2,1H3
InChIKeyGYJFRFMEBTXJFX-UHFFFAOYSA-N
XLogP0.19
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
(4-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 20754665
(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone
CID 60847754
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
(4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 60964122
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
1-[4-(1,1-dioxothiane-4-carbonyl)piperazin-1-yl]ethanone
CID 110850378
(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60953970
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119755471

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone (CID 60894221) is 1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2CCC(N)CC2)CC1.
What is the InChIKey of 1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone?
The InChIKey is GYJFRFMEBTXJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(17)15-6-8-16(9-7-15)13(18)11-2-4-12(14)5-3-11/h11-12H,2-9,14H2,1H3.
What are the key properties of 1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone?
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone has a molecular weight of 253.35 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60894221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).