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

C14H22N4O3S — CID 72874983

IUPAC1-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)propan-1-one
SMILESCCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O
InChIInChI=1S/C14H22N4O3S/c1-3-12(19)17-8-5-14(6-9-17)13-11(15-10-16-13)4-7-18(14)22(2,20)21/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyIANCRJCCBKHSTC-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.46
Rot. Bonds2

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

1-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)propan-1-one (PubChem CID 72874983) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)propan-1-one
PubChem CID72874983
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name1-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)propan-1-one
SMILESCCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O
InChIInChI=1S/C14H22N4O3S/c1-3-12(19)17-8-5-14(6-9-17)13-11(15-10-16-13)4-7-18(14)22(2,20)21/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyIANCRJCCBKHSTC-UHFFFAOYSA-N
XLogP0.46
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)propan-1-one?
The IUPAC name of 1-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)propan-1-one (CID 72874983) is 1-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)propan-1-one.
What is the SMILES notation for 1-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)propan-1-one?
The canonical SMILES for 1-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)propan-1-one is CCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O.
What is the InChIKey of 1-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)propan-1-one?
The InChIKey is IANCRJCCBKHSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-3-12(19)17-8-5-14(6-9-17)13-11(15-10-16-13)4-7-18(14)22(2,20)21/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)propan-1-one?
1-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)propan-1-one has a molecular weight of 326.42 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)propan-1-one is sourced from PubChem (CID 72874983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).