1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone

C22H26N4O3 — CID 72937798

IUPAC1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cc3ccccc3o1)CC2
InChIInChI=1S/C22H26N4O3/c1-28-14-20(27)26-9-6-18-21(24-15-23-18)22(26)7-10-25(11-8-22)13-17-12-16-4-2-3-5-19(16)29-17/h2-5,12,15H,6-11,13-14H2,1H3,(H,23,24)
InChIKeyBKCHCKBUVUWLDD-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.68
Rot. Bonds4

About 1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone

1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone (PubChem CID 72937798) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
PubChem CID72937798
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cc3ccccc3o1)CC2
InChIInChI=1S/C22H26N4O3/c1-28-14-20(27)26-9-6-18-21(24-15-23-18)22(26)7-10-25(11-8-22)13-17-12-16-4-2-3-5-19(16)29-17/h2-5,12,15H,6-11,13-14H2,1H3,(H,23,24)
InChIKeyBKCHCKBUVUWLDD-UHFFFAOYSA-N
XLogP2.68
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?
The IUPAC name of 1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone (CID 72937798) is 1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?
The canonical SMILES for 1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone is COCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cc3ccccc3o1)CC2.
What is the InChIKey of 1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?
The InChIKey is BKCHCKBUVUWLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-28-14-20(27)26-9-6-18-21(24-15-23-18)22(26)7-10-25(11-8-22)13-17-12-16-4-2-3-5-19(16)29-17/h2-5,12,15H,6-11,13-14H2,1H3,(H,23,24).
What are the key properties of 1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?
1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone has a molecular weight of 394.48 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone is sourced from PubChem (CID 72937798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).