2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone

C22H32N4O3 — CID 97270200

IUPAC2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-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)[C@@H]1CC13CCCCC3)CC2
InChIInChI=1S/C22H32N4O3/c1-29-14-18(27)26-10-5-17-19(24-15-23-17)22(26)8-11-25(12-9-22)20(28)16-13-21(16)6-3-2-4-7-21/h15-16H,2-14H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyGFTJOGMKKXTHSB-INIZCTEOSA-N
MW400.52 g/mol
LogP2.23
Rot. Bonds3

About 2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone

2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (PubChem CID 97270200) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-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'-[(2R)-spiro[2.5]octane-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
PubChem CID97270200
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-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)[C@@H]1CC13CCCCC3)CC2
InChIInChI=1S/C22H32N4O3/c1-29-14-18(27)26-10-5-17-19(24-15-23-17)22(26)8-11-25(12-9-22)20(28)16-13-21(16)6-3-2-4-7-21/h15-16H,2-14H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyGFTJOGMKKXTHSB-INIZCTEOSA-N
XLogP2.23
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-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'-[(2R)-spiro[2.5]octane-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (CID 97270200) is 2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-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'-[(2R)-spiro[2.5]octane-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'-[(2R)-spiro[2.5]octane-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)[C@@H]1CC13CCCCC3)CC2.
What is the InChIKey of 2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The InChIKey is GFTJOGMKKXTHSB-INIZCTEOSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-29-14-18(27)26-10-5-17-19(24-15-23-17)22(26)8-11-25(12-9-22)20(28)16-13-21(16)6-3-2-4-7-21/h15-16H,2-14H2,1H3,(H,23,24)/t16-/m0/s1.
What are the key properties of 2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone has a molecular weight of 400.52 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is sourced from PubChem (CID 97270200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).