4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

C14H22N2O4 — CID 63783969

IUPAC4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC(=O)N1CCN(C(=O)C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H22N2O4/c1-10(17)15-6-8-16(9-7-15)13(18)11-2-4-12(5-3-11)14(19)20/h11-12H,2-9H2,1H3,(H,19,20)
InChIKeyVOVRATVDPGILOP-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.57
Rot. Bonds2

About 4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 63783969) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID63783969
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC(=O)N1CCN(C(=O)C2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H22N2O4/c1-10(17)15-6-8-16(9-7-15)13(18)11-2-4-12(5-3-11)14(19)20/h11-12H,2-9H2,1H3,(H,19,20)
InChIKeyVOVRATVDPGILOP-UHFFFAOYSA-N
XLogP0.57
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.57
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-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
CID 60894221
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
4-(4-hydroxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782265
4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783353
1-[4-(1,1-dioxothiane-4-carbonyl)piperazin-1-yl]ethanone
CID 110850378
4-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63784854
1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone
CID 90512375
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 63783969) is 4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is CC(=O)N1CCN(C(=O)C2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is VOVRATVDPGILOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(17)15-6-8-16(9-7-15)13(18)11-2-4-12(5-3-11)14(19)20/h11-12H,2-9H2,1H3,(H,19,20).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).