spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

C18H21N3O3S — CID 135088266

IUPACspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1COCC2)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C18H21N3O3S/c22-17(16-12-11-23-8-1-14(12)19-20-16)21-6-4-18(5-7-21)13-3-10-25-15(13)2-9-24-18/h3,10H,1-2,4-9,11H2,(H,19,20)
InChIKeyUMXYAUBIFOEWMV-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.25
Rot. Bonds1

About spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone (PubChem CID 135088266) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone.

Molecular Properties

Compound Namespiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
PubChem CID135088266
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Namespiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1COCC2)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C18H21N3O3S/c22-17(16-12-11-23-8-1-14(12)19-20-16)21-6-4-18(5-7-21)13-3-10-25-15(13)2-9-24-18/h3,10H,1-2,4-9,11H2,(H,19,20)
InChIKeyUMXYAUBIFOEWMV-UHFFFAOYSA-N
XLogP2.25
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone with MolForge

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Related Compounds

1H-pyrazol-4-yl(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 135103946
spiro[indene-1,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 119072765
spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 135110778
[1-(pyridine-4-carbonyl)piperidin-4-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163315307
(3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163306291
[3-(1H-pyrazol-4-yl)phenyl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163309031
5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrazin-2-one
CID 135117302
2,3-dihydro-1,4-benzodioxin-5-yl(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 135118300
(4-fluoro-3-methylphenyl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 135099460
6-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
CID 91834946
1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 137456363
2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one
CID 135117997

Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
The IUPAC name of spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone (CID 135088266) is spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone.
What is the SMILES notation for spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
The canonical SMILES for spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone is O=C(c1n[nH]c2c1COCC2)N1CCC2(CC1)OCCc1sccc12.
What is the InChIKey of spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
The InChIKey is UMXYAUBIFOEWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-17(16-12-11-23-8-1-14(12)19-20-16)21-6-4-18(5-7-21)13-3-10-25-15(13)2-9-24-18/h3,10H,1-2,4-9,11H2,(H,19,20).
What are the key properties of spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone has a molecular weight of 359.45 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone is sourced from PubChem (CID 135088266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).