furan-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone

C20H20N4O2 — CID 91915522

IUPACfuran-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1ccoc1)N1CCC2(CC1)NCc1ccccc1-n1ccnc12
InChIInChI=1S/C20H20N4O2/c25-18(16-5-12-26-14-16)23-9-6-20(7-10-23)19-21-8-11-24(19)17-4-2-1-3-15(17)13-22-20/h1-5,8,11-12,14,22H,6-7,9-10,13H2
InChIKeyRZTLZGYZURLWHS-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.70
Rot. Bonds1

About furan-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone

furan-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone (PubChem CID 91915522) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is furan-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Namefuran-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone
PubChem CID91915522
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Namefuran-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1ccoc1)N1CCC2(CC1)NCc1ccccc1-n1ccnc12
InChIInChI=1S/C20H20N4O2/c25-18(16-5-12-26-14-16)23-9-6-20(7-10-23)19-21-8-11-24(19)17-4-2-1-3-15(17)13-22-20/h1-5,8,11-12,14,22H,6-7,9-10,13H2
InChIKeyRZTLZGYZURLWHS-UHFFFAOYSA-N
XLogP2.70
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-ylpropan-1-one
CID 91915540
(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone
CID 91915559
[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 53015005
(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-(5-methylthiophen-2-yl)methanone
CID 91905781
(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone
CID 91915566
2-methyl-1-(5-methylspiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)propan-1-one
CID 91915567
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 32532341
2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
CID 91890990
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(furan-3-yl)methanone
CID 121184528
(2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone
CID 156532889
[5-(2-methylpropyl)spiro[6H-imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone
CID 91915586
furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 84592483

Frequently Asked Questions

What is the IUPAC name of furan-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of furan-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone (CID 91915522) is furan-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for furan-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for furan-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone is O=C(c1ccoc1)N1CCC2(CC1)NCc1ccccc1-n1ccnc12.
What is the InChIKey of furan-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is RZTLZGYZURLWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-18(16-5-12-26-14-16)23-9-6-20(7-10-23)19-21-8-11-24(19)17-4-2-1-3-15(17)13-22-20/h1-5,8,11-12,14,22H,6-7,9-10,13H2.
What are the key properties of furan-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone?
furan-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl(spiro[5,6-dihydroimidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 91915522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).