cyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone

C17H26N4O3S — CID 72842684

IUPACcyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
SMILESCS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C17H26N4O3S/c1-25(23,24)21-9-6-14-15(19-12-18-14)17(21)7-10-20(11-8-17)16(22)13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyOAPHSAJLNKSTHR-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.24
Rot. Bonds2

About cyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone

cyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone (PubChem CID 72842684) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is cyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
PubChem CID72842684
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Namecyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
SMILESCS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C17H26N4O3S/c1-25(23,24)21-9-6-14-15(19-12-18-14)17(21)7-10-20(11-8-17)16(22)13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyOAPHSAJLNKSTHR-UHFFFAOYSA-N
XLogP1.24
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of cyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone (CID 72842684) is cyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for cyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for cyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone is CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C1CCCC1)CC2.
What is the InChIKey of cyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is OAPHSAJLNKSTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-25(23,24)21-9-6-14-15(19-12-18-14)17(21)7-10-20(11-8-17)16(22)13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,18,19).
What are the key properties of cyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone?
cyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 366.49 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 72842684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).