2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one

C17H22N2O5 — CID 77087935

IUPAC2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)o1
InChIInChI=1S/C17H22N2O5/c1-12-9-14(20)10-15(24-12)17(22)19-4-2-3-13(11-19)16(21)18-5-7-23-8-6-18/h9-10,13H,2-8,11H2,1H3
InChIKeyDPCMBOXXEHKRES-UHFFFAOYSA-N
MW334.37 g/mol
LogP0.66
Rot. Bonds2

About 2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one

2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one (PubChem CID 77087935) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one.

Molecular Properties

Compound Name2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one
PubChem CID77087935
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)o1
InChIInChI=1S/C17H22N2O5/c1-12-9-14(20)10-15(24-12)17(22)19-4-2-3-13(11-19)16(21)18-5-7-23-8-6-18/h9-10,13H,2-8,11H2,1H3
InChIKeyDPCMBOXXEHKRES-UHFFFAOYSA-N
XLogP0.66
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one?
The IUPAC name of 2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one (CID 77087935) is 2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one.
What is the SMILES notation for 2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one?
The canonical SMILES for 2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one is Cc1cc(=O)cc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)o1.
What is the InChIKey of 2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one?
The InChIKey is DPCMBOXXEHKRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-12-9-14(20)10-15(24-12)17(22)19-4-2-3-13(11-19)16(21)18-5-7-23-8-6-18/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one?
2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one has a molecular weight of 334.37 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyran-4-one is sourced from PubChem (CID 77087935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).