3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid

C16H22N2O2 — CID 63073351

IUPAC3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid
SMILESO=C(O)C(CN1CCN(C2CC2)CC1)c1ccccc1
InChIInChI=1S/C16H22N2O2/c19-16(20)15(13-4-2-1-3-5-13)12-17-8-10-18(11-9-17)14-6-7-14/h1-5,14-15H,6-12H2,(H,19,20)
InChIKeyZPOVVIXIZCYMBW-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.63
Rot. Bonds5

About 3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid

3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid (PubChem CID 63073351) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid
PubChem CID63073351
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid
SMILESO=C(O)C(CN1CCN(C2CC2)CC1)c1ccccc1
InChIInChI=1S/C16H22N2O2/c19-16(20)15(13-4-2-1-3-5-13)12-17-8-10-18(11-9-17)14-6-7-14/h1-5,14-15H,6-12H2,(H,19,20)
InChIKeyZPOVVIXIZCYMBW-UHFFFAOYSA-N
XLogP1.63
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid?
The IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid (CID 63073351) is 3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid is O=C(O)C(CN1CCN(C2CC2)CC1)c1ccccc1.
What is the InChIKey of 3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid?
The InChIKey is ZPOVVIXIZCYMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(20)15(13-4-2-1-3-5-13)12-17-8-10-18(11-9-17)14-6-7-14/h1-5,14-15H,6-12H2,(H,19,20).
What are the key properties of 3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid?
3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid is sourced from PubChem (CID 63073351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).