cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone

C20H28N4O3 — CID 97117469

IUPACcyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESO=C([C@@H]1CCOC1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1
InChIInChI=1S/C20H28N4O3/c25-18(15-5-11-27-12-15)23-9-6-20(7-10-23)17-16(21-13-22-17)4-8-24(20)19(26)14-2-1-3-14/h13-15H,1-12H2,(H,21,22)/t15-/m1/s1
InChIKeyXUGASWRIJJDURZ-OAHLLOKOSA-N
MW372.47 g/mol
LogP1.45
Rot. Bonds2

About cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone

cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (PubChem CID 97117469) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
PubChem CID97117469
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Namecyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESO=C([C@@H]1CCOC1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1
InChIInChI=1S/C20H28N4O3/c25-18(15-5-11-27-12-15)23-9-6-20(7-10-23)17-16(21-13-22-17)4-8-24(20)19(26)14-2-1-3-14/h13-15H,1-12H2,(H,21,22)/t15-/m1/s1
InChIKeyXUGASWRIJJDURZ-OAHLLOKOSA-N
XLogP1.45
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one
CID 97133007
cyclobutyl-[1'-[(2S)-pyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone;dihydrochloride
CID 154899418
(4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]-1-methylpyrrolidin-2-one
CID 97283779
2-methoxy-1-[1'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72935965
2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid
CID 72866650
(2S)-1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 97272172
(4S)-4-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one
CID 97286630
1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone
CID 72886657
cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 86283323
(2R)-1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-methoxybutan-1-one
CID 97124769
cyclopropyl-[1'-[(5R)-3-methyl-4,5-dihydro-1,2-oxazole-5-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 97279962
cyclopropyl-[1'-(6-methylpyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72924359

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The IUPAC name of cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (CID 97117469) is cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.
What is the SMILES notation for cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The canonical SMILES for cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is O=C([C@@H]1CCOC1)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The InChIKey is XUGASWRIJJDURZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N4O3/c25-18(15-5-11-27-12-15)23-9-6-20(7-10-23)17-16(21-13-22-17)4-8-24(20)19(26)14-2-1-3-14/h13-15H,1-12H2,(H,21,22)/t15-/m1/s1.
What are the key properties of cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is sourced from PubChem (CID 97117469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).