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

C18H28N4O2S — CID 72937269

IUPAC1-[1'-(2-propylsulfanylacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCCSCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)CC
InChIInChI=1S/C18H28N4O2S/c1-3-11-25-12-16(24)21-9-6-18(7-10-21)17-14(19-13-20-17)5-8-22(18)15(23)4-2/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyGGWCFWZLXWTETG-UHFFFAOYSA-N
MW364.52 g/mol
LogP2.17
Rot. Bonds5

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

1-[1'-(2-propylsulfanylacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (PubChem CID 72937269) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 1-[1'-(2-propylsulfanylacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[1'-(2-propylsulfanylacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
PubChem CID72937269
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name1-[1'-(2-propylsulfanylacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCCSCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)CC
InChIInChI=1S/C18H28N4O2S/c1-3-11-25-12-16(24)21-9-6-18(7-10-21)17-14(19-13-20-17)5-8-22(18)15(23)4-2/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyGGWCFWZLXWTETG-UHFFFAOYSA-N
XLogP2.17
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-(2-propylsulfanylacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The IUPAC name of 1-[1'-(2-propylsulfanylacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (CID 72937269) is 1-[1'-(2-propylsulfanylacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.
What is the SMILES notation for 1-[1'-(2-propylsulfanylacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The canonical SMILES for 1-[1'-(2-propylsulfanylacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is CCCSCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)CC.
What is the InChIKey of 1-[1'-(2-propylsulfanylacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The InChIKey is GGWCFWZLXWTETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-3-11-25-12-16(24)21-9-6-18(7-10-21)17-14(19-13-20-17)5-8-22(18)15(23)4-2/h13H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[1'-(2-propylsulfanylacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
1-[1'-(2-propylsulfanylacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one has a molecular weight of 364.52 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(2-propylsulfanylacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is sourced from PubChem (CID 72937269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).