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

C15H23N5O4S — CID 72883586

IUPAC4-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-4-oxobutanamide
SMILESCS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCC(N)=O)CC2
InChIInChI=1S/C15H23N5O4S/c1-25(23,24)20-7-4-11-14(18-10-17-11)15(20)5-8-19(9-6-15)13(22)3-2-12(16)21/h10H,2-9H2,1H3,(H2,16,21)(H,17,18)
InChIKeyCKEHCPJPOAZCKD-UHFFFAOYSA-N
MW369.45 g/mol
LogP-0.69
Rot. Bonds4

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

4-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-4-oxobutanamide (PubChem CID 72883586) has the molecular formula C15H23N5O4S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-4-oxobutanamide
PubChem CID72883586
Molecular FormulaC15H23N5O4S
Molecular Weight369.45 g/mol
Exact Mass369.15
IUPAC Name4-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-4-oxobutanamide
SMILESCS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCC(N)=O)CC2
InChIInChI=1S/C15H23N5O4S/c1-25(23,24)20-7-4-11-14(18-10-17-11)15(20)5-8-19(9-6-15)13(22)3-2-12(16)21/h10H,2-9H2,1H3,(H2,16,21)(H,17,18)
InChIKeyCKEHCPJPOAZCKD-UHFFFAOYSA-N
XLogP-0.69
TPSA129.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-4-oxobutanamide?
The IUPAC name of 4-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-4-oxobutanamide (CID 72883586) is 4-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-4-oxobutanamide?
The canonical SMILES for 4-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-4-oxobutanamide is CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCC(N)=O)CC2.
What is the InChIKey of 4-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-4-oxobutanamide?
The InChIKey is CKEHCPJPOAZCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4S/c1-25(23,24)20-7-4-11-14(18-10-17-11)15(20)5-8-19(9-6-15)13(22)3-2-12(16)21/h10H,2-9H2,1H3,(H2,16,21)(H,17,18).
What are the key properties of 4-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-4-oxobutanamide?
4-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-4-oxobutanamide has a molecular weight of 369.45 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-4-oxobutanamide is sourced from PubChem (CID 72883586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).