1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone

C18H22N4O2S — CID 72875702

IUPAC1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone
SMILESCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1cccs1)CC2
InChIInChI=1S/C18H22N4O2S/c1-13(23)22-7-4-15-17(20-12-19-15)18(22)5-8-21(9-6-18)16(24)11-14-3-2-10-25-14/h2-3,10,12H,4-9,11H2,1H3,(H,19,20)
InChIKeySUGCKAVMCVBBGQ-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.94
Rot. Bonds2

About 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone

1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone (PubChem CID 72875702) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone
PubChem CID72875702
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone
SMILESCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1cccs1)CC2
InChIInChI=1S/C18H22N4O2S/c1-13(23)22-7-4-15-17(20-12-19-15)18(22)5-8-21(9-6-18)16(24)11-14-3-2-10-25-14/h2-3,10,12H,4-9,11H2,1H3,(H,19,20)
InChIKeySUGCKAVMCVBBGQ-UHFFFAOYSA-N
XLogP1.94
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone (CID 72875702) is 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone is CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1cccs1)CC2.
What is the InChIKey of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone?
The InChIKey is SUGCKAVMCVBBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13(23)22-7-4-15-17(20-12-19-15)18(22)5-8-21(9-6-18)16(24)11-14-3-2-10-25-14/h2-3,10,12H,4-9,11H2,1H3,(H,19,20).
What are the key properties of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone?
1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone has a molecular weight of 358.47 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 72875702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).