3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid

C13H22N2O3 — CID 55055798

IUPAC3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN2CCN(C3CC3)CC2)CCOC1
InChIInChI=1S/C13H22N2O3/c16-12(17)13(3-8-18-10-13)9-14-4-6-15(7-5-14)11-1-2-11/h11H,1-10H2,(H,16,17)
InChIKeyFEYUSJRCPANYOK-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.26
Rot. Bonds4

About 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid

3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid (PubChem CID 55055798) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid
PubChem CID55055798
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN2CCN(C3CC3)CC2)CCOC1
InChIInChI=1S/C13H22N2O3/c16-12(17)13(3-8-18-10-13)9-14-4-6-15(7-5-14)11-1-2-11/h11H,1-10H2,(H,16,17)
InChIKeyFEYUSJRCPANYOK-UHFFFAOYSA-N
XLogP0.26
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid (CID 55055798) is 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid is O=C(O)C1(CN2CCN(C3CC3)CC2)CCOC1.
What is the InChIKey of 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid?
The InChIKey is FEYUSJRCPANYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(17)13(3-8-18-10-13)9-14-4-6-15(7-5-14)11-1-2-11/h11H,1-10H2,(H,16,17).
What are the key properties of 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid?
3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 55055798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).