2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid

C13H22N2O3 — CID 60950003

IUPAC2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCC(C)CN1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-9(2)8-14-3-5-15(6-4-14)12(16)10-7-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyMZSRSIWHCQGVME-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.51
Rot. Bonds4

About 2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid

2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 60950003) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID60950003
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCC(C)CN1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-9(2)8-14-3-5-15(6-4-14)12(16)10-7-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyMZSRSIWHCQGVME-UHFFFAOYSA-N
XLogP0.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-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

2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792822
cis-(1S,2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93377074
cis-(1S,2R)-2-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93379447
(2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102944933
4-methyl-1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 63721838
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 54918475
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 60950003) is 2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid is CC(C)CN1CCN(C(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is MZSRSIWHCQGVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)8-14-3-5-15(6-4-14)12(16)10-7-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60950003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).