3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one

C15H27N3O4 — CID 23422467

IUPAC3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCN(CCC(=O)N1CCOCC1)CCC(=O)N1CCOCC1
InChIInChI=1S/C15H27N3O4/c1-16(4-2-14(19)17-6-10-21-11-7-17)5-3-15(20)18-8-12-22-13-9-18/h2-13H2,1H3
InChIKeyHQRUIPBCRJINOA-UHFFFAOYSA-N
MW313.40 g/mol
LogP-0.58
Rot. Bonds6

About 3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one

3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 23422467) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID23422467
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Name3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCN(CCC(=O)N1CCOCC1)CCC(=O)N1CCOCC1
InChIInChI=1S/C15H27N3O4/c1-16(4-2-14(19)17-6-10-21-11-7-17)5-3-15(20)18-8-12-22-13-9-18/h2-13H2,1H3
InChIKeyHQRUIPBCRJINOA-UHFFFAOYSA-N
XLogP-0.58
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113117459
4-[[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzonitrile
CID 56796714
2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone
CID 78815658
3-[methyl-(2-methylsulfanylcyclopentyl)amino]-1-morpholin-4-ylpropan-1-one
CID 71988465
3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110617908
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
2-[methyl(methylaminomethyl)amino]-1-morpholin-4-ylethanone
CID 177179015
1-ethyl-1-methyl-3-(3-morpholin-4-yl-3-oxopropyl)urea
CID 113229862
3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 162750091
5-morpholin-4-yl-5-oxopentanamide
CID 135345694
5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383
2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile
CID 60699929

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one (CID 23422467) is 3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one is CN(CCC(=O)N1CCOCC1)CCC(=O)N1CCOCC1.
What is the InChIKey of 3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is HQRUIPBCRJINOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-16(4-2-14(19)17-6-10-21-11-7-17)5-3-15(20)18-8-12-22-13-9-18/h2-13H2,1H3.
What are the key properties of 3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one?
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 313.40 g/mol, XLogP of -0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 23422467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).