N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide

C20H21F3N2O2S — CID 162630738

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1cc2c(s1)C1(CCNCC1)OCC2
InChIInChI=1S/C20H21F3N2O2S/c21-20(22,23)15-3-1-13(2-4-15)12-25-18(26)16-11-14-5-10-27-19(17(14)28-16)6-8-24-9-7-19/h1-4,11,24H,5-10,12H2,(H,25,26)
InChIKeyXQNHYRPCGFCHSH-UHFFFAOYSA-N
MW410.46 g/mol
LogP3.85
Rot. Bonds3

About N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide

N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide (PubChem CID 162630738) has the molecular formula C20H21F3N2O2S and a molecular weight of 410.46 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
PubChem CID162630738
Molecular FormulaC20H21F3N2O2S
Molecular Weight410.46 g/mol
Exact Mass410.13
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1cc2c(s1)C1(CCNCC1)OCC2
InChIInChI=1S/C20H21F3N2O2S/c21-20(22,23)15-3-1-13(2-4-15)12-25-18(26)16-11-14-5-10-27-19(17(14)28-16)6-8-24-9-7-19/h1-4,11,24H,5-10,12H2,(H,25,26)
InChIKeyXQNHYRPCGFCHSH-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylsulfonylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 135318412
N-[(3-methylsulfanylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162628233
N-(2-morpholin-4-ylethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162634817
N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162633332
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162634696
N-[(4-methylphenyl)methyl]-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 142419321
N-[(4-ethylsulfonylphenyl)methyl]-1'-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 146345957
azane;N-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 69316462
2-tert-butyl-N-[[4-(trifluoromethyl)phenyl]methyl]-3H-thieno[3,2-d][1,2]thiazole-5-carboxamide
CID 169263153
1'-(1,3-oxazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 169417775
N-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 163306765
5-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 27052442

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide (CID 162630738) is N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1cc2c(s1)C1(CCNCC1)OCC2.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The InChIKey is XQNHYRPCGFCHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2S/c21-20(22,23)15-3-1-13(2-4-15)12-25-18(26)16-11-14-5-10-27-19(17(14)28-16)6-8-24-9-7-19/h1-4,11,24H,5-10,12H2,(H,25,26).
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 162630738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).