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

C20H30N4O2S — CID 72886657

IUPAC1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone
SMILESCC(C)SCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1
InChIInChI=1S/C20H30N4O2S/c1-14(2)27-12-17(25)23-10-7-20(8-11-23)18-16(21-13-22-18)6-9-24(20)19(26)15-4-3-5-15/h13-15H,3-12H2,1-2H3,(H,21,22)
InChIKeySHNVBVFFZKKDPL-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.55
Rot. Bonds4

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

1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone (PubChem CID 72886657) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone
PubChem CID72886657
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone
SMILESCC(C)SCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1
InChIInChI=1S/C20H30N4O2S/c1-14(2)27-12-17(25)23-10-7-20(8-11-23)18-16(21-13-22-18)6-9-24(20)19(26)15-4-3-5-15/h13-15H,3-12H2,1-2H3,(H,21,22)
InChIKeySHNVBVFFZKKDPL-UHFFFAOYSA-N
XLogP2.55
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone?
The IUPAC name of 1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone (CID 72886657) is 1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone.
What is the SMILES notation for 1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone?
The canonical SMILES for 1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone is CC(C)SCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1.
What is the InChIKey of 1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone?
The InChIKey is SHNVBVFFZKKDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-14(2)27-12-17(25)23-10-7-20(8-11-23)18-16(21-13-22-18)6-9-24(20)19(26)15-4-3-5-15/h13-15H,3-12H2,1-2H3,(H,21,22).
What are the key properties of 1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone?
1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone has a molecular weight of 390.55 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone is sourced from PubChem (CID 72886657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).