1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C19H26N4OS — CID 169138788

IUPAC1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCCc1cc2c(s1)CCOC21CCN(Cc2cn(C3CC3)nn2)CC1
InChIInChI=1S/C19H26N4OS/c1-2-16-11-17-18(25-16)5-10-24-19(17)6-8-22(9-7-19)12-14-13-23(21-20-14)15-3-4-15/h11,13,15H,2-10,12H2,1H3
InChIKeyLSTNUIIAOXBXCW-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.30
Rot. Bonds4

About 1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 169138788) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID169138788
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCCc1cc2c(s1)CCOC21CCN(Cc2cn(C3CC3)nn2)CC1
InChIInChI=1S/C19H26N4OS/c1-2-16-11-17-18(25-16)5-10-24-19(17)6-8-22(9-7-19)12-14-13-23(21-20-14)15-3-4-15/h11,13,15H,2-10,12H2,1H3
InChIKeyLSTNUIIAOXBXCW-UHFFFAOYSA-N
XLogP3.30
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] with MolForge

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Related Compounds

2-ethyl-1'-[(1-methyltriazol-4-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169140671
2-ethyl-1'-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169138623
2-ethyl-1'-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169140034
2-ethyl-1'-[[1-[2-(oxan-4-ylsulfonyl)ethyl]triazol-4-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139073
1'-[[1-(2-tert-butylsulfonylethyl)triazol-4-yl]methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139818
3-[4-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]triazol-1-yl]cyclobutan-1-ol
CID 169140105
(2'S,4R)-2-ethyl-2'-methyl-1'-[[1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]triazol-4-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 170125773
2-[4-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]triazol-1-yl]-N-(2-hydroxyethyl)propanamide
CID 169140678
2-[4-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]triazol-1-yl]-N-(2-hydroxypropyl)propanamide
CID 169139261
2-ethyl-1'-(1,3-thiazol-5-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139169
2-ethyl-1'-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169140605
1'-[(6-bromo-3-pyridinyl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139849

Frequently Asked Questions

What is the IUPAC name of 1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 169138788) is 1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is CCc1cc2c(s1)CCOC21CCN(Cc2cn(C3CC3)nn2)CC1.
What is the InChIKey of 1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is LSTNUIIAOXBXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-2-16-11-17-18(25-16)5-10-24-19(17)6-8-22(9-7-19)12-14-13-23(21-20-14)15-3-4-15/h11,13,15H,2-10,12H2,1H3.
What are the key properties of 1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 358.51 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 169138788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).