prop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate

C19H21N3O2 — CID 3609289

IUPACprop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
SMILESC=CCOC(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C19H21N3O2/c1-2-14-24-19(23)16-8-9-18(20-15-16)22-12-10-21(11-13-22)17-6-4-3-5-7-17/h2-9,15H,1,10-14H2
InChIKeyWRGLXGJSSCVYIK-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.75
Rot. Bonds5

About prop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate

prop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate (PubChem CID 3609289) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is prop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
PubChem CID3609289
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Nameprop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
SMILESC=CCOC(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C19H21N3O2/c1-2-14-24-19(23)16-8-9-18(20-15-16)22-12-10-21(11-13-22)17-6-4-3-5-7-17/h2-9,15H,1,10-14H2
InChIKeyWRGLXGJSSCVYIK-UHFFFAOYSA-N
XLogP2.75
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate?
The IUPAC name of prop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate (CID 3609289) is prop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for prop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate is C=CCOC(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of prop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate?
The InChIKey is WRGLXGJSSCVYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-14-24-19(23)16-8-9-18(20-15-16)22-12-10-21(11-13-22)17-6-4-3-5-7-17/h2-9,15H,1,10-14H2.
What are the key properties of prop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate?
prop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate has a molecular weight of 323.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 3609289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).