(6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate

C22H23NO5 — CID 102316172

IUPAC(6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate
SMILESCC(=O)OC1C(=O)N(C)C(OC(C)=O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H23NO5/c1-14(24)27-20-18(16-10-6-4-7-11-16)19(17-12-8-5-9-13-17)22(28-15(2)25)23(3)21(20)26/h4-13,18-20,22H,1-3H3
InChIKeyTUYULBTVAYCYGG-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.85
Rot. Bonds4

About (6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate

(6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate (PubChem CID 102316172) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is (6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate.

Molecular Properties

Compound Name(6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate
PubChem CID102316172
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name(6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate
SMILESCC(=O)OC1C(=O)N(C)C(OC(C)=O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H23NO5/c1-14(24)27-20-18(16-10-6-4-7-11-16)19(17-12-8-5-9-13-17)22(28-15(2)25)23(3)21(20)26/h4-13,18-20,22H,1-3H3
InChIKeyTUYULBTVAYCYGG-UHFFFAOYSA-N
XLogP2.85
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate?
The IUPAC name of (6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate (CID 102316172) is (6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate.
What is the SMILES notation for (6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate?
The canonical SMILES for (6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate is CC(=O)OC1C(=O)N(C)C(OC(C)=O)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of (6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate?
The InChIKey is TUYULBTVAYCYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-14(24)27-20-18(16-10-6-4-7-11-16)19(17-12-8-5-9-13-17)22(28-15(2)25)23(3)21(20)26/h4-13,18-20,22H,1-3H3.
What are the key properties of (6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate?
(6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate has a molecular weight of 381.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetyloxy-1-methyl-2-oxo-4,5-diphenylpiperidin-3-yl) acetate is sourced from PubChem (CID 102316172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).