1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid

C11H19N3O3 — CID 83022949

IUPAC1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCN1CCN(NC(=O)C2(C(=O)O)CCC2)CC1
InChIInChI=1S/C11H19N3O3/c1-13-5-7-14(8-6-13)12-9(15)11(10(16)17)3-2-4-11/h2-8H2,1H3,(H,12,15)(H,16,17)
InChIKeyVROSSYWWFSXLSA-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.48
Rot. Bonds3

About 1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid

1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 83022949) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID83022949
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCN1CCN(NC(=O)C2(C(=O)O)CCC2)CC1
InChIInChI=1S/C11H19N3O3/c1-13-5-7-14(8-6-13)12-9(15)11(10(16)17)3-2-4-11/h2-8H2,1H3,(H,12,15)(H,16,17)
InChIKeyVROSSYWWFSXLSA-UHFFFAOYSA-N
XLogP-0.48
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid
CID 83022682
1-[(2,6-Dimethylpiperidin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 83023199
1-(Piperidin-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 83023547
1-[(4-Methylpiperazin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 83023805
3,3-Dimethyl-2-[(4-methylpiperazin-1-yl)carbamoyl]butanoic acid
CID 116537410

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid (CID 83022949) is 1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid is CN1CCN(NC(=O)C2(C(=O)O)CCC2)CC1.
What is the InChIKey of 1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is VROSSYWWFSXLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-13-5-7-14(8-6-13)12-9(15)11(10(16)17)3-2-4-11/h2-8H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperazin-1-yl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83022949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).