2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone

C18H24N6O3 — CID 72863438

IUPAC2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1nccn1C)CC2
InChIInChI=1S/C18H24N6O3/c1-22-10-6-19-16(22)17(26)23-8-4-18(5-9-23)15-13(20-12-21-15)3-7-24(18)14(25)11-27-2/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,20,21)
InChIKeyVOKCEICMDDHWOE-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.31
Rot. Bonds3

About 2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone

2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (PubChem CID 72863438) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
PubChem CID72863438
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1nccn1C)CC2
InChIInChI=1S/C18H24N6O3/c1-22-10-6-19-16(22)17(26)23-8-4-18(5-9-23)15-13(20-12-21-15)3-7-24(18)14(25)11-27-2/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,20,21)
InChIKeyVOKCEICMDDHWOE-UHFFFAOYSA-N
XLogP0.31
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The IUPAC name of 2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (CID 72863438) is 2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1nccn1C)CC2.
What is the InChIKey of 2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The InChIKey is VOKCEICMDDHWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-22-10-6-19-16(22)17(26)23-8-4-18(5-9-23)15-13(20-12-21-15)3-7-24(18)14(25)11-27-2/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,20,21).
What are the key properties of 2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone has a molecular weight of 372.43 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is sourced from PubChem (CID 72863438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).