[4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate

C20H21NO3 — CID 886535

IUPAC[4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C20H21NO3/c1-15(22)24-19-10-8-16(9-11-19)17-6-5-7-18(14-17)20(23)21-12-3-2-4-13-21/h5-11,14H,2-4,12-13H2,1H3
InChIKeyHCDFHMIIJVECAW-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.90
Rot. Bonds3

About [4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate

[4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate (PubChem CID 886535) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate
PubChem CID886535
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C20H21NO3/c1-15(22)24-19-10-8-16(9-11-19)17-6-5-7-18(14-17)20(23)21-12-3-2-4-13-21/h5-11,14H,2-4,12-13H2,1H3
InChIKeyHCDFHMIIJVECAW-UHFFFAOYSA-N
XLogP3.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate?
The IUPAC name of [4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate (CID 886535) is [4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate.
What is the SMILES notation for [4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate?
The canonical SMILES for [4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate is CC(=O)Oc1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of [4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate?
The InChIKey is HCDFHMIIJVECAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-15(22)24-19-10-8-16(9-11-19)17-6-5-7-18(14-17)20(23)21-12-3-2-4-13-21/h5-11,14H,2-4,12-13H2,1H3.
What are the key properties of [4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate?
[4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate has a molecular weight of 323.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(piperidine-1-carbonyl)phenyl]phenyl] acetate is sourced from PubChem (CID 886535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).