3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one

C25H32N2O2 — CID 9648

IUPAC3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3
InChIKeyINUNXTSAACVKJS-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.56
Rot. Bonds6

About 3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one

3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 9648) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID9648
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3
InChIKeyINUNXTSAACVKJS-UHFFFAOYSA-N
XLogP3.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3156
Dextromoramide
CID 92943
Doxapram Hydrochloride
CID 64648
Phenadoxone
CID 10089
Sameridine
CID 65996
1-((3R)-3-Methyl-4-(4-morpholinyl)-1-oxo-2,2-diphenylbutyl)pyrrolidine
CID 10453145
Dopram
CID 64647
1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
CID 207584
3-Hexanone, 4,4-diphenyl-6-morpholino-
CID 44686
N-[3-(morpholin-4-yl)propyl]-2,2-diphenylacetamide
CID 2166461
2-(3-Methylphenyl)-1-morpholin-4-ylethanone
CID 6470636
Morsuximide
CID 71165

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one (CID 9648) is 3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one is CC(CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is INUNXTSAACVKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3.
What are the key properties of 3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one?
3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 392.54 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 9648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).