2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone

C19H24N4O3S — CID 72922691

IUPAC2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)s1)CC2
InChIInChI=1S/C19H24N4O3S/c1-13-3-4-15(27-13)18(25)22-9-6-19(7-10-22)17-14(20-12-21-17)5-8-23(19)16(24)11-26-2/h3-4,12H,5-11H2,1-2H3,(H,20,21)
InChIKeyUMZXOPGOJWOROR-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.94
Rot. Bonds3

About 2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone

2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (PubChem CID 72922691) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
PubChem CID72922691
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)s1)CC2
InChIInChI=1S/C19H24N4O3S/c1-13-3-4-15(27-13)18(25)22-9-6-19(7-10-22)17-14(20-12-21-17)5-8-23(19)16(24)11-26-2/h3-4,12H,5-11H2,1-2H3,(H,20,21)
InChIKeyUMZXOPGOJWOROR-UHFFFAOYSA-N
XLogP1.94
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The IUPAC name of 2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (CID 72922691) is 2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)s1)CC2.
What is the InChIKey of 2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The InChIKey is UMZXOPGOJWOROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-13-3-4-15(27-13)18(25)22-9-6-19(7-10-22)17-14(20-12-21-17)5-8-23(19)16(24)11-26-2/h3-4,12H,5-11H2,1-2H3,(H,20,21).
What are the key properties of 2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone has a molecular weight of 388.49 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is sourced from PubChem (CID 72922691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).