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

C22H30N4O2 — CID 72908241

IUPAC1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCOc1ccccc1CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)CC
InChIInChI=1S/C22H30N4O2/c1-3-20(27)26-12-9-18-21(24-16-23-18)22(26)10-13-25(14-11-22)15-17-7-5-6-8-19(17)28-4-2/h5-8,16H,3-4,9-15H2,1-2H3,(H,23,24)
InChIKeyDDNSGZDCUMREFU-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.09
Rot. Bonds5

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

1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (PubChem CID 72908241) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
PubChem CID72908241
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCOc1ccccc1CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)CC
InChIInChI=1S/C22H30N4O2/c1-3-20(27)26-12-9-18-21(24-16-23-18)22(26)10-13-25(14-11-22)15-17-7-5-6-8-19(17)28-4-2/h5-8,16H,3-4,9-15H2,1-2H3,(H,23,24)
InChIKeyDDNSGZDCUMREFU-UHFFFAOYSA-N
XLogP3.09
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
CID 72847494
1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride
CID 129009040
1-[1'-(3-methoxypyrazin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
CID 72854061
1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone
CID 72838994
1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one
CID 72924193
1-[1'-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
CID 97274886
1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
CID 72937377
(2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one
CID 97269194
cyclopropyl-[1'-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72923482
1-[1'-(2-chlorobenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72849676
1-[1'-[4-(dimethylamino)-5-methylpyrimidin-2-yl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
CID 72924409
4-[(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methyl]-2,1,3-benzoxadiazole
CID 72920667

Frequently Asked Questions

What is the IUPAC name of 1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The IUPAC name of 1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (CID 72908241) is 1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.
What is the SMILES notation for 1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The canonical SMILES for 1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is CCOc1ccccc1CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)CC.
What is the InChIKey of 1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The InChIKey is DDNSGZDCUMREFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-20(27)26-12-9-18-21(24-16-23-18)22(26)10-13-25(14-11-22)15-17-7-5-6-8-19(17)28-4-2/h5-8,16H,3-4,9-15H2,1-2H3,(H,23,24).
What are the key properties of 1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one has a molecular weight of 382.51 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-[(2-ethoxyphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is sourced from PubChem (CID 72908241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).