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

C19H28N4O4 — CID 72935965

IUPAC2-methoxy-1-[1'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C1CCOCC1)CC2
InChIInChI=1S/C19H28N4O4/c1-26-12-16(24)23-7-2-15-17(21-13-20-15)19(23)5-8-22(9-6-19)18(25)14-3-10-27-11-4-14/h13-14H,2-12H2,1H3,(H,20,21)
InChIKeyPKCAUJJXOAWUHF-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.69
Rot. Bonds3

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

2-methoxy-1-[1'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (PubChem CID 72935965) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-methoxy-1-[1'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[1'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
PubChem CID72935965
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name2-methoxy-1-[1'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C1CCOCC1)CC2
InChIInChI=1S/C19H28N4O4/c1-26-12-16(24)23-7-2-15-17(21-13-20-15)19(23)5-8-22(9-6-19)18(25)14-3-10-27-11-4-14/h13-14H,2-12H2,1H3,(H,20,21)
InChIKeyPKCAUJJXOAWUHF-UHFFFAOYSA-N
XLogP0.69
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[1'-(oxane-4-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'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (CID 72935965) is 2-methoxy-1-[1'-(oxane-4-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'-(oxane-4-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'-(oxane-4-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)C1CCOCC1)CC2.
What is the InChIKey of 2-methoxy-1-[1'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The InChIKey is PKCAUJJXOAWUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-26-12-16(24)23-7-2-15-17(21-13-20-15)19(23)5-8-22(9-6-19)18(25)14-3-10-27-11-4-14/h13-14H,2-12H2,1H3,(H,20,21).
What are the key properties of 2-methoxy-1-[1'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
2-methoxy-1-[1'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone has a molecular weight of 376.46 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[1'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is sourced from PubChem (CID 72935965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).