2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone

C15H23N5O3 — CID 72920828

IUPAC2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(C)CC1C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C15H23N5O3/c1-18-5-6-20(14(21)9-23-2)13(8-18)15(22)19-4-3-11-12(7-19)17-10-16-11/h10,13H,3-9H2,1-2H3,(H,16,17)
InChIKeyVZPVAQPJQBOCTQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.92
Rot. Bonds3

About 2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone

2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone (PubChem CID 72920828) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone
PubChem CID72920828
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(C)CC1C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C15H23N5O3/c1-18-5-6-20(14(21)9-23-2)13(8-18)15(22)19-4-3-11-12(7-19)17-10-16-11/h10,13H,3-9H2,1-2H3,(H,16,17)
InChIKeyVZPVAQPJQBOCTQ-UHFFFAOYSA-N
XLogP-0.92
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone (CID 72920828) is 2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone is COCC(=O)N1CCN(C)CC1C(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of 2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is VZPVAQPJQBOCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-18-5-6-20(14(21)9-23-2)13(8-18)15(22)19-4-3-11-12(7-19)17-10-16-11/h10,13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone?
2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 321.38 g/mol, XLogP of -0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-methyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 72920828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).