1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

C18H27N3O4 — CID 134062689

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCN(C(=O)c3ccco3)CC2)CC(C)O1
InChIInChI=1S/C18H27N3O4/c1-13-11-21(12-14(2)25-13)17(22)15(3)19-6-8-20(9-7-19)18(23)16-5-4-10-24-16/h4-5,10,13-15H,6-9,11-12H2,1-3H3
InChIKeyDDBFAXWVWVXYQX-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.06
Rot. Bonds3

About 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 134062689) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID134062689
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCN(C(=O)c3ccco3)CC2)CC(C)O1
InChIInChI=1S/C18H27N3O4/c1-13-11-21(12-14(2)25-13)17(22)15(3)19-6-8-20(9-7-19)18(23)16-5-4-10-24-16/h4-5,10,13-15H,6-9,11-12H2,1-3H3
InChIKeyDDBFAXWVWVXYQX-UHFFFAOYSA-N
XLogP1.06
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 46162177
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 4881494
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 46744287
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 78808507
(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431836
4-[4-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,4-diazepan-1-yl]benzonitrile
CID 55851612
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
furan-2-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 110664567
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 102937304

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (CID 134062689) is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is CC1CN(C(=O)C(C)N2CCN(C(=O)c3ccco3)CC2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is DDBFAXWVWVXYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13-11-21(12-14(2)25-13)17(22)15(3)19-6-8-20(9-7-19)18(23)16-5-4-10-24-16/h4-5,10,13-15H,6-9,11-12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 349.43 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 134062689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).