1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one

C18H24N4OS — CID 72883510

IUPAC1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one
SMILESCN1CCc2[nH]cnc2C12CCN(C(=O)CCc1cccs1)CC2
InChIInChI=1S/C18H24N4OS/c1-21-9-6-15-17(20-13-19-15)18(21)7-10-22(11-8-18)16(23)5-4-14-3-2-12-24-14/h2-3,12-13H,4-11H2,1H3,(H,19,20)
InChIKeyZFZXIWXPSWVZIE-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.41
Rot. Bonds3

About 1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one

1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one (PubChem CID 72883510) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one
PubChem CID72883510
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one
SMILESCN1CCc2[nH]cnc2C12CCN(C(=O)CCc1cccs1)CC2
InChIInChI=1S/C18H24N4OS/c1-21-9-6-15-17(20-13-19-15)18(21)7-10-22(11-8-18)16(23)5-4-14-3-2-12-24-14/h2-3,12-13H,4-11H2,1H3,(H,19,20)
InChIKeyZFZXIWXPSWVZIE-UHFFFAOYSA-N
XLogP2.41
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one (CID 72883510) is 1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one is CN1CCc2[nH]cnc2C12CCN(C(=O)CCc1cccs1)CC2.
What is the InChIKey of 1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is ZFZXIWXPSWVZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-21-9-6-15-17(20-13-19-15)18(21)7-10-22(11-8-18)16(23)5-4-14-3-2-12-24-14/h2-3,12-13H,4-11H2,1H3,(H,19,20).
What are the key properties of 1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one?
1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 344.48 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 72883510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).