1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone

C17H26N4O2 — CID 72915722

IUPAC1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
SMILESCC(=O)N1CCc2[nH]cnc2C12CCN(CC1CCOC1)CC2
InChIInChI=1S/C17H26N4O2/c1-13(22)21-6-2-15-16(19-12-18-15)17(21)4-7-20(8-5-17)10-14-3-9-23-11-14/h12,14H,2-11H2,1H3,(H,18,19)
InChIKeyWAOXDXRVIZTQBR-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.14
Rot. Bonds2

About 1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone

1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (PubChem CID 72915722) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.

Molecular Properties

Compound Name1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
PubChem CID72915722
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
SMILESCC(=O)N1CCc2[nH]cnc2C12CCN(CC1CCOC1)CC2
InChIInChI=1S/C17H26N4O2/c1-13(22)21-6-2-15-16(19-12-18-15)17(21)4-7-20(8-5-17)10-14-3-9-23-11-14/h12,14H,2-11H2,1H3,(H,18,19)
InChIKeyWAOXDXRVIZTQBR-UHFFFAOYSA-N
XLogP1.14
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The IUPAC name of 1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (CID 72915722) is 1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.
What is the SMILES notation for 1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The canonical SMILES for 1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is CC(=O)N1CCc2[nH]cnc2C12CCN(CC1CCOC1)CC2.
What is the InChIKey of 1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The InChIKey is WAOXDXRVIZTQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(22)21-6-2-15-16(19-12-18-15)17(21)4-7-20(8-5-17)10-14-3-9-23-11-14/h12,14H,2-11H2,1H3,(H,18,19).
What are the key properties of 1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone has a molecular weight of 318.42 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(oxolan-3-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is sourced from PubChem (CID 72915722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).