4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid

C14H24N2O3 — CID 55067152

IUPAC4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid
SMILESO=C(O)C1(CN2CCN(C3CC3)CC2)CCOCC1
InChIInChI=1S/C14H24N2O3/c17-13(18)14(3-9-19-10-4-14)11-15-5-7-16(8-6-15)12-1-2-12/h12H,1-11H2,(H,17,18)
InChIKeyXGEIRVROSPRWPA-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.65
Rot. Bonds4

About 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid

4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid (PubChem CID 55067152) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid
PubChem CID55067152
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid
SMILESO=C(O)C1(CN2CCN(C3CC3)CC2)CCOCC1
InChIInChI=1S/C14H24N2O3/c17-13(18)14(3-9-19-10-4-14)11-15-5-7-16(8-6-15)12-1-2-12/h12H,1-11H2,(H,17,18)
InChIKeyXGEIRVROSPRWPA-UHFFFAOYSA-N
XLogP0.65
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid (CID 55067152) is 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid is O=C(O)C1(CN2CCN(C3CC3)CC2)CCOCC1.
What is the InChIKey of 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid?
The InChIKey is XGEIRVROSPRWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(18)14(3-9-19-10-4-14)11-15-5-7-16(8-6-15)12-1-2-12/h12H,1-11H2,(H,17,18).
What are the key properties of 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid?
4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylpiperazin-1-yl)methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 55067152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).