(4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron

C20H22NO3+ — CID 3054409

IUPAC(4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron
SMILESCN1CCC(OC(=O)c2ccccc2)(C(=O)c2ccccc2)CC1.[H+]
InChIInChI=1S/C20H21NO3/c1-21-14-12-20(13-15-21,18(22)16-8-4-2-5-9-16)24-19(23)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3/p+1
InChIKeyZBVWMDLNPRRZLA-UHFFFAOYSA-O
MW324.40 g/mol
LogP3.30
Rot. Bonds4

About (4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron

(4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron (PubChem CID 3054409) has the molecular formula C20H22NO3+ and a molecular weight of 324.40 g/mol. Its IUPAC name is (4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron.

Molecular Properties

Compound Name(4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron
PubChem CID3054409
Molecular FormulaC20H22NO3+
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name(4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron
SMILESCN1CCC(OC(=O)c2ccccc2)(C(=O)c2ccccc2)CC1.[H+]
InChIInChI=1S/C20H21NO3/c1-21-14-12-20(13-15-21,18(22)16-8-4-2-5-9-16)24-19(23)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3/p+1
InChIKeyZBVWMDLNPRRZLA-UHFFFAOYSA-O
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron?
The IUPAC name of (4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron (CID 3054409) is (4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron.
What is the SMILES notation for (4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron?
The canonical SMILES for (4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron is CN1CCC(OC(=O)c2ccccc2)(C(=O)c2ccccc2)CC1.[H+].
What is the InChIKey of (4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron?
The InChIKey is ZBVWMDLNPRRZLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21NO3/c1-21-14-12-20(13-15-21,18(22)16-8-4-2-5-9-16)24-19(23)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3/p+1.
What are the key properties of (4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron?
(4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron has a molecular weight of 324.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoyl-1-methylpiperidin-4-yl) benzoate;hydron is sourced from PubChem (CID 3054409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).