spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone

C18H19NO2S — CID 90565729

IUPACspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C18H19NO2S/c20-17(15-6-12-22-13-15)19-10-8-18(9-11-19)7-5-14-3-1-2-4-16(14)21-18/h1-4,6,12-13H,5,7-11H2
InChIKeyDWTWYIVYUIQSDA-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.75
Rot. Bonds1

About spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone

spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone (PubChem CID 90565729) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone.

Molecular Properties

Compound Namespiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
PubChem CID90565729
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Namespiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1CCC2(CCc3ccccc3O2)CC1
InChIInChI=1S/C18H19NO2S/c20-17(15-6-12-22-13-15)19-10-8-18(9-11-19)7-5-14-3-1-2-4-16(14)21-18/h1-4,6,12-13H,5,7-11H2
InChIKeyDWTWYIVYUIQSDA-UHFFFAOYSA-N
XLogP3.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565592
(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565595
1-methyl-4-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 136554118
(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565605
(2,5-dichlorophenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565621
(E)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl-3-thiophen-2-ylprop-2-en-1-one
CID 90565555
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
CID 71785102
cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
CID 90565574
[5-(furan-2-yl)-1,2-oxazol-3-yl]-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565526
4-methyl-3-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)isochromen-1-one
CID 166245056
11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155502645
1'-(4-thiophen-3-ylbenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586111

Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone?
The IUPAC name of spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone (CID 90565729) is spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone.
What is the SMILES notation for spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone?
The canonical SMILES for spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone is O=C(c1ccsc1)N1CCC2(CCc3ccccc3O2)CC1.
What is the InChIKey of spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone?
The InChIKey is DWTWYIVYUIQSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c20-17(15-6-12-22-13-15)19-10-8-18(9-11-19)7-5-14-3-1-2-4-16(14)21-18/h1-4,6,12-13H,5,7-11H2.
What are the key properties of spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone?
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone has a molecular weight of 313.42 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone is sourced from PubChem (CID 90565729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).