[4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate

C15H19NO4 — CID 170040490

IUPAC[4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate
SMILESO=C(ON1CCC(C2OCCO2)CC1)c1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(12-4-2-1-3-5-12)20-16-8-6-13(7-9-16)15-18-10-11-19-15/h1-5,13,15H,6-11H2
InChIKeyCZXYTQNJUBRHHI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.84
Rot. Bonds3

About [4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate

[4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate (PubChem CID 170040490) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate.

Molecular Properties

Compound Name[4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate
PubChem CID170040490
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate
SMILESO=C(ON1CCC(C2OCCO2)CC1)c1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(12-4-2-1-3-5-12)20-16-8-6-13(7-9-16)15-18-10-11-19-15/h1-5,13,15H,6-11H2
InChIKeyCZXYTQNJUBRHHI-UHFFFAOYSA-N
XLogP1.84
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate 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-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate?
The IUPAC name of [4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate (CID 170040490) is [4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate.
What is the SMILES notation for [4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate?
The canonical SMILES for [4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate is O=C(ON1CCC(C2OCCO2)CC1)c1ccccc1.
What is the InChIKey of [4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate?
The InChIKey is CZXYTQNJUBRHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(12-4-2-1-3-5-12)20-16-8-6-13(7-9-16)15-18-10-11-19-15/h1-5,13,15H,6-11H2.
What are the key properties of [4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate?
[4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate has a molecular weight of 277.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxolan-2-yl)piperidin-1-yl] benzoate is sourced from PubChem (CID 170040490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).