5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one

C18H26N2O5 — CID 70734001

IUPAC5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one
SMILESCOc1coc(C(=O)N2CCC(C(C)N3CCOCC3)CC2)cc1=O
InChIInChI=1S/C18H26N2O5/c1-13(19-7-9-24-10-8-19)14-3-5-20(6-4-14)18(22)16-11-15(21)17(23-2)12-25-16/h11-14H,3-10H2,1-2H3
InChIKeyYXXWDXOKIOIOOS-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.22
Rot. Bonds4

About 5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one

5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one (PubChem CID 70734001) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one
PubChem CID70734001
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one
SMILESCOc1coc(C(=O)N2CCC(C(C)N3CCOCC3)CC2)cc1=O
InChIInChI=1S/C18H26N2O5/c1-13(19-7-9-24-10-8-19)14-3-5-20(6-4-14)18(22)16-11-15(21)17(23-2)12-25-16/h11-14H,3-10H2,1-2H3
InChIKeyYXXWDXOKIOIOOS-UHFFFAOYSA-N
XLogP1.22
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one?
The IUPAC name of 5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one (CID 70734001) is 5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one.
What is the SMILES notation for 5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one?
The canonical SMILES for 5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one is COc1coc(C(=O)N2CCC(C(C)N3CCOCC3)CC2)cc1=O.
What is the InChIKey of 5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one?
The InChIKey is YXXWDXOKIOIOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-13(19-7-9-24-10-8-19)14-3-5-20(6-4-14)18(22)16-11-15(21)17(23-2)12-25-16/h11-14H,3-10H2,1-2H3.
What are the key properties of 5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one?
5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one has a molecular weight of 350.42 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]pyran-4-one is sourced from PubChem (CID 70734001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).