1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid

C11H18N2O3 — CID 62097632

IUPAC1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESCN1CCN(C(=O)C2(C(=O)O)CCC2)CC1
InChIInChI=1S/C11H18N2O3/c1-12-5-7-13(8-6-12)9(14)11(10(15)16)3-2-4-11/h2-8H2,1H3,(H,15,16)
InChIKeyCGJUALKQRVSHBH-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.02
Rot. Bonds2

About 1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid

1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 62097632) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID62097632
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESCN1CCN(C(=O)C2(C(=O)O)CCC2)CC1
InChIInChI=1S/C11H18N2O3/c1-12-5-7-13(8-6-12)9(14)11(10(15)16)3-2-4-11/h2-8H2,1H3,(H,15,16)
InChIKeyCGJUALKQRVSHBH-UHFFFAOYSA-N
XLogP0.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.02
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

1-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 83548987
1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62096399
1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62097142
1-(1,4-diazepane-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62096963
1-(4-methylsulfonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55135259
1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55050179
4-(azetidine-1-carbonyl)oxane-4-carboxylic acid
CID 164660114
1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62369000
1-[4-(1,1-difluoroethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 155957110
N-cyclopentyl-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971761
1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120691009
1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 106316274

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid (CID 62097632) is 1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid is CN1CCN(C(=O)C2(C(=O)O)CCC2)CC1.
What is the InChIKey of 1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is CGJUALKQRVSHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-12-5-7-13(8-6-12)9(14)11(10(15)16)3-2-4-11/h2-8H2,1H3,(H,15,16).
What are the key properties of 1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid?
1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazine-1-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62097632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).