2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one

C17H25N3O4 — CID 118775560

IUPAC2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCN(CCN3CCOCC3)CC2)o1
InChIInChI=1S/C17H25N3O4/c1-14-12-15(21)13-16(24-14)17(22)20-6-4-18(5-7-20)2-3-19-8-10-23-11-9-19/h12-13H,2-11H2,1H3
InChIKeyVFLWKJKIWFKWNF-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.04
Rot. Bonds4

About 2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one

2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one (PubChem CID 118775560) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one.

Molecular Properties

Compound Name2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one
PubChem CID118775560
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCN(CCN3CCOCC3)CC2)o1
InChIInChI=1S/C17H25N3O4/c1-14-12-15(21)13-16(24-14)17(22)20-6-4-18(5-7-20)2-3-19-8-10-23-11-9-19/h12-13H,2-11H2,1H3
InChIKeyVFLWKJKIWFKWNF-UHFFFAOYSA-N
XLogP0.04
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one?
The IUPAC name of 2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one (CID 118775560) is 2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one.
What is the SMILES notation for 2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one?
The canonical SMILES for 2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one is Cc1cc(=O)cc(C(=O)N2CCN(CCN3CCOCC3)CC2)o1.
What is the InChIKey of 2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one?
The InChIKey is VFLWKJKIWFKWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-14-12-15(21)13-16(24-14)17(22)20-6-4-18(5-7-20)2-3-19-8-10-23-11-9-19/h12-13H,2-11H2,1H3.
What are the key properties of 2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one?
2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one has a molecular weight of 335.40 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(2-morpholin-4-ylethyl)piperazine-1-carbonyl]pyran-4-one is sourced from PubChem (CID 118775560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).