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

C22H26NO3+ — CID 3054400

IUPAC(4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron
SMILESCCCN1CCC(OC(=O)c2ccccc2)(C(=O)c2ccccc2)CC1.[H+]
InChIInChI=1S/C22H25NO3/c1-2-15-23-16-13-22(14-17-23,20(24)18-9-5-3-6-10-18)26-21(25)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3/p+1
InChIKeyMKUGLTVOEURSMD-UHFFFAOYSA-O
MW352.45 g/mol
LogP4.08
Rot. Bonds6

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

(4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron (PubChem CID 3054400) has the molecular formula C22H26NO3+ and a molecular weight of 352.45 g/mol. Its IUPAC name is (4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron.

Molecular Properties

Compound Name(4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron
PubChem CID3054400
Molecular FormulaC22H26NO3+
Molecular Weight352.45 g/mol
Exact Mass352.19
IUPAC Name(4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron
SMILESCCCN1CCC(OC(=O)c2ccccc2)(C(=O)c2ccccc2)CC1.[H+]
InChIInChI=1S/C22H25NO3/c1-2-15-23-16-13-22(14-17-23,20(24)18-9-5-3-6-10-18)26-21(25)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3/p+1
InChIKeyMKUGLTVOEURSMD-UHFFFAOYSA-O
XLogP4.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron?
The IUPAC name of (4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron (CID 3054400) is (4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron.
What is the SMILES notation for (4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron?
The canonical SMILES for (4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron is CCCN1CCC(OC(=O)c2ccccc2)(C(=O)c2ccccc2)CC1.[H+].
What is the InChIKey of (4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron?
The InChIKey is MKUGLTVOEURSMD-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25NO3/c1-2-15-23-16-13-22(14-17-23,20(24)18-9-5-3-6-10-18)26-21(25)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3/p+1.
What are the key properties of (4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron?
(4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron has a molecular weight of 352.45 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoyl-1-propylpiperidin-4-yl) benzoate;hydron is sourced from PubChem (CID 3054400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).