1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid

C16H24N2O4 — CID 120691009

IUPAC1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(C1CCCCC1)N1CCN(C(=O)C2(C(=O)O)CC2)CC1
InChIInChI=1S/C16H24N2O4/c19-13(12-4-2-1-3-5-12)17-8-10-18(11-9-17)14(20)16(6-7-16)15(21)22/h12H,1-11H2,(H,21,22)
InChIKeyQFPLZJIQXVDZGS-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.10
Rot. Bonds3

About 1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid

1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 120691009) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID120691009
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(C1CCCCC1)N1CCN(C(=O)C2(C(=O)O)CC2)CC1
InChIInChI=1S/C16H24N2O4/c19-13(12-4-2-1-3-5-12)17-8-10-18(11-9-17)14(20)16(6-7-16)15(21)22/h12H,1-11H2,(H,21,22)
InChIKeyQFPLZJIQXVDZGS-UHFFFAOYSA-N
XLogP1.10
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

aziridin-1-yl(cyclohexyl)methanone
CID 2309619
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62369000
1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62096399
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone
CID 119307245
1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250882
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55035164
1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 103941342
1-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 83548987

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 120691009) is 1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid is O=C(C1CCCCC1)N1CCN(C(=O)C2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is QFPLZJIQXVDZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c19-13(12-4-2-1-3-5-12)17-8-10-18(11-9-17)14(20)16(6-7-16)15(21)22/h12H,1-11H2,(H,21,22).
What are the key properties of 1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120691009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).