formic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C20H22N2O3S — CID 155940076

IUPACformic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESO=CO.c1cc(-c2cc3c(s2)C2(CCNCC2)OCC3)c2[nH]ccc2c1
InChIInChI=1S/C19H20N2OS.CH2O2/c1-2-13-4-8-21-17(13)15(3-1)16-12-14-5-11-22-19(18(14)23-16)6-9-20-10-7-19;2-1-3/h1-4,8,12,20-21H,5-7,9-11H2;1H,(H,2,3)
InChIKeyFYIPIJYMQMDNHP-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.75
Rot. Bonds1

About formic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

formic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 155940076) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is formic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Nameformic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID155940076
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Nameformic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESO=CO.c1cc(-c2cc3c(s2)C2(CCNCC2)OCC3)c2[nH]ccc2c1
InChIInChI=1S/C19H20N2OS.CH2O2/c1-2-13-4-8-21-17(13)15(3-1)16-12-14-5-11-22-19(18(14)23-16)6-9-20-10-7-19;2-1-3/h1-4,8,12,20-21H,5-7,9-11H2;1H,(H,2,3)
InChIKeyFYIPIJYMQMDNHP-UHFFFAOYSA-N
XLogP3.75
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Related Compounds

formic acid;2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide
CID 171686733
5-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyridine-3-carboxamide
CID 155505630
2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylpyrimidin-4-amine
CID 155504472
acetic acid;2-(6-thiomorpholin-4-ylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 155972643
N-[(3-methylsulfanylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162628233
2-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine];dihydrochloride
CID 155938144
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170512633
N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162630738
2,2'-di(pyren-1-yl)-7,7'-spirobi[4,5-dihydrothieno[2,3-c]pyran]
CID 132531806
N-(2-morpholin-4-ylethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162634817
8a-ethyl-7-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 163315179
(3-hydroxycyclobutyl)-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170512368

Frequently Asked Questions

What is the IUPAC name of formic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of formic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 155940076) is formic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for formic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for formic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is O=CO.c1cc(-c2cc3c(s2)C2(CCNCC2)OCC3)c2[nH]ccc2c1.
What is the InChIKey of formic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is FYIPIJYMQMDNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS.CH2O2/c1-2-13-4-8-21-17(13)15(3-1)16-12-14-5-11-22-19(18(14)23-16)6-9-20-10-7-19;2-1-3/h1-4,8,12,20-21H,5-7,9-11H2;1H,(H,2,3).
What are the key properties of formic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
formic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 370.47 g/mol, XLogP of 3.75, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-(1H-indol-7-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 155940076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).