1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione

C19H27N5O4 — CID 72872199

IUPAC1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C(=O)N1CCCC1)CC2
InChIInChI=1S/C19H27N5O4/c1-28-12-15(25)24-9-4-14-16(21-13-20-14)19(24)5-10-23(11-6-19)18(27)17(26)22-7-2-3-8-22/h13H,2-12H2,1H3,(H,20,21)
InChIKeyCPGWLCJDOMVYOF-UHFFFAOYSA-N
MW389.46 g/mol
LogP-0.12
Rot. Bonds2

About 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione

1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione (PubChem CID 72872199) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione
PubChem CID72872199
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C(=O)N1CCCC1)CC2
InChIInChI=1S/C19H27N5O4/c1-28-12-15(25)24-9-4-14-16(21-13-20-14)19(24)5-10-23(11-6-19)18(27)17(26)22-7-2-3-8-22/h13H,2-12H2,1H3,(H,20,21)
InChIKeyCPGWLCJDOMVYOF-UHFFFAOYSA-N
XLogP-0.12
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The IUPAC name of 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione (CID 72872199) is 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione is COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C(=O)N1CCCC1)CC2.
What is the InChIKey of 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The InChIKey is CPGWLCJDOMVYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-28-12-15(25)24-9-4-14-16(21-13-20-14)19(24)5-10-23(11-6-19)18(27)17(26)22-7-2-3-8-22/h13H,2-12H2,1H3,(H,20,21).
What are the key properties of 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione has a molecular weight of 389.46 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione is sourced from PubChem (CID 72872199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).