1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one

C26H32N2O3 — CID 16737051

IUPAC1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one
SMILESCC(C)C1C(=O)CC(c2ccccc2)N(C(=O)CN2CCOCC2)C1c1ccccc1
InChIInChI=1S/C26H32N2O3/c1-19(2)25-23(29)17-22(20-9-5-3-6-10-20)28(26(25)21-11-7-4-8-12-21)24(30)18-27-13-15-31-16-14-27/h3-12,19,22,25-26H,13-18H2,1-2H3
InChIKeyKBRBDQUPSTVBGF-UHFFFAOYSA-N
MW420.55 g/mol
LogP3.87
Rot. Bonds5

About 1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one

1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one (PubChem CID 16737051) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one.

Molecular Properties

Compound Name1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one
PubChem CID16737051
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one
SMILESCC(C)C1C(=O)CC(c2ccccc2)N(C(=O)CN2CCOCC2)C1c1ccccc1
InChIInChI=1S/C26H32N2O3/c1-19(2)25-23(29)17-22(20-9-5-3-6-10-20)28(26(25)21-11-7-4-8-12-21)24(30)18-27-13-15-31-16-14-27/h3-12,19,22,25-26H,13-18H2,1-2H3
InChIKeyKBRBDQUPSTVBGF-UHFFFAOYSA-N
XLogP3.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one?
The IUPAC name of 1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one (CID 16737051) is 1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one.
What is the SMILES notation for 1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one?
The canonical SMILES for 1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one is CC(C)C1C(=O)CC(c2ccccc2)N(C(=O)CN2CCOCC2)C1c1ccccc1.
What is the InChIKey of 1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one?
The InChIKey is KBRBDQUPSTVBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-19(2)25-23(29)17-22(20-9-5-3-6-10-20)28(26(25)21-11-7-4-8-12-21)24(30)18-27-13-15-31-16-14-27/h3-12,19,22,25-26H,13-18H2,1-2H3.
What are the key properties of 1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one?
1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one has a molecular weight of 420.55 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylacetyl)-2,6-diphenyl-3-propan-2-ylpiperidin-4-one is sourced from PubChem (CID 16737051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).