(2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one

C20H28N6O3 — CID 97269525

About (2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one

(2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one (PubChem CID 97269525) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one
• PubChem CID: 97269525
• Molecular Formula: C20H28N6O3
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.22
• IUPAC Name: (2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one
• SMILES: COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)n1ccnc1C)CC2
• InChI: InChI=1S/C20H28N6O3/c1-14(25-11-7-21-15(25)2)19(28)24-9-5-20(6-10-24)18-16(22-13-23-18)4-8-26(20)17(27)12-29-3/h7,11,13-14H,4-6,8-10,12H2,1-3H3,(H,22,23)/t14-/m1/s1
• InChIKey: WVFWXJWLXFDHMG-CQSZACIVSA-N
• XLogP: 1.02
• TPSA: 96.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one?

The IUPAC name of (2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one (CID 97269525) is (2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one.

What is the SMILES notation for (2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one?

The canonical SMILES for (2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one is COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)n1ccnc1C)CC2.

What is the InChIKey of (2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one?

The InChIKey is WVFWXJWLXFDHMG-CQSZACIVSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-14(25-11-7-21-15(25)2)19(28)24-9-5-20(6-10-24)18-16(22-13-23-18)4-8-26(20)17(27)12-29-3/h7,11,13-14H,4-6,8-10,12H2,1-3H3,(H,22,23)/t14-/m1/s1.

What are the key properties of (2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one?

(2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one has a molecular weight of 400.48 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 97269525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).