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

C20H31N5O3 — CID 97286396

IUPAC2-methoxy-1-[1'-[(2S)-1-methylpiperidine-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]1CCCCN1C)CC2
InChIInChI=1S/C20H31N5O3/c1-23-9-4-3-5-16(23)19(27)24-11-7-20(8-12-24)18-15(21-14-22-18)6-10-25(20)17(26)13-28-2/h14,16H,3-13H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyWRGUXGHWHXIMKT-INIZCTEOSA-N
MW389.50 g/mol
LogP0.74
Rot. Bonds3

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

2-methoxy-1-[1'-[(2S)-1-methylpiperidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (PubChem CID 97286396) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-methoxy-1-[1'-[(2S)-1-methylpiperidine-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'-[(2S)-1-methylpiperidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
PubChem CID97286396
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name2-methoxy-1-[1'-[(2S)-1-methylpiperidine-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]1CCCCN1C)CC2
InChIInChI=1S/C20H31N5O3/c1-23-9-4-3-5-16(23)19(27)24-11-7-20(8-12-24)18-15(21-14-22-18)6-10-25(20)17(26)13-28-2/h14,16H,3-13H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyWRGUXGHWHXIMKT-INIZCTEOSA-N
XLogP0.74
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-1-[1'-[(2S)-1-methylpiperidine-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'-[(2S)-1-methylpiperidine-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'-[(2S)-1-methylpiperidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (CID 97286396) is 2-methoxy-1-[1'-[(2S)-1-methylpiperidine-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'-[(2S)-1-methylpiperidine-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'-[(2S)-1-methylpiperidine-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]1CCCCN1C)CC2.
What is the InChIKey of 2-methoxy-1-[1'-[(2S)-1-methylpiperidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The InChIKey is WRGUXGHWHXIMKT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-23-9-4-3-5-16(23)19(27)24-11-7-20(8-12-24)18-15(21-14-22-18)6-10-25(20)17(26)13-28-2/h14,16H,3-13H2,1-2H3,(H,21,22)/t16-/m0/s1.
What are the key properties of 2-methoxy-1-[1'-[(2S)-1-methylpiperidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
2-methoxy-1-[1'-[(2S)-1-methylpiperidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone has a molecular weight of 389.50 g/mol, XLogP of 0.74, 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'-[(2S)-1-methylpiperidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is sourced from PubChem (CID 97286396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).