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

C19H26N4OS — CID 72852995

IUPAC1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one
SMILESCCN1CCc2[nH]cnc2C12CCN(C(=O)CCc1cccs1)CC2
InChIInChI=1S/C19H26N4OS/c1-2-23-10-7-16-18(21-14-20-16)19(23)8-11-22(12-9-19)17(24)6-5-15-4-3-13-25-15/h3-4,13-14H,2,5-12H2,1H3,(H,20,21)
InChIKeyHEAWJXNSBRDUBS-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.80
Rot. Bonds4

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

1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one (PubChem CID 72852995) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(5-ethylspiro[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-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one
PubChem CID72852995
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one
SMILESCCN1CCc2[nH]cnc2C12CCN(C(=O)CCc1cccs1)CC2
InChIInChI=1S/C19H26N4OS/c1-2-23-10-7-16-18(21-14-20-16)19(23)8-11-22(12-9-19)17(24)6-5-15-4-3-13-25-15/h3-4,13-14H,2,5-12H2,1H3,(H,20,21)
InChIKeyHEAWJXNSBRDUBS-UHFFFAOYSA-N
XLogP2.80
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylspiro[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-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one (CID 72852995) is 1-(5-ethylspiro[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-ethylspiro[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-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one is CCN1CCc2[nH]cnc2C12CCN(C(=O)CCc1cccs1)CC2.
What is the InChIKey of 1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is HEAWJXNSBRDUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-2-23-10-7-16-18(21-14-20-16)19(23)8-11-22(12-9-19)17(24)6-5-15-4-3-13-25-15/h3-4,13-14H,2,5-12H2,1H3,(H,20,21).
What are the key properties of 1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-thiophen-2-ylpropan-1-one?
1-(5-ethylspiro[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 358.51 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylspiro[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 72852995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).