N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide

C19H22N2O3S — CID 135094445

IUPACN-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC3(CC2)OCCc2sccc23)c1
InChIInChI=1S/C19H22N2O3S/c1-23-15-4-2-3-14(13-15)20-18(22)21-9-7-19(8-10-21)16-6-12-25-17(16)5-11-24-19/h2-4,6,12-13H,5,7-11H2,1H3,(H,20,22)
InChIKeyLSOFWVJREAOTKH-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.85
Rot. Bonds2

About N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide

N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide (PubChem CID 135094445) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide
PubChem CID135094445
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC3(CC2)OCCc2sccc23)c1
InChIInChI=1S/C19H22N2O3S/c1-23-15-4-2-3-14(13-15)20-18(22)21-9-7-19(8-10-21)16-6-12-25-17(16)5-11-24-19/h2-4,6,12-13H,5,7-11H2,1H3,(H,20,22)
InChIKeyLSOFWVJREAOTKH-UHFFFAOYSA-N
XLogP3.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopentyl-4-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 23071820
N-(3-methoxyphenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304682
(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 95784287
N-(3-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 169490453
tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169138473
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
(4R)-4-[(dimethylamino)methyl]-4-hydroxy-N-(3-methoxyphenyl)azepane-1-carboxamide
CID 95723564
N-(3-chlorophenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90850502
N-(3-methoxyphenyl)-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3943225
N-[3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)phenyl]-2-methylpropanamide
CID 135105564
(3aS,6aR)-2-[(3-methoxyphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122073446
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide (CID 135094445) is N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide is COc1cccc(NC(=O)N2CCC3(CC2)OCCc2sccc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide?
The InChIKey is LSOFWVJREAOTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-23-15-4-2-3-14(13-15)20-18(22)21-9-7-19(8-10-21)16-6-12-25-17(16)5-11-24-19/h2-4,6,12-13H,5,7-11H2,1H3,(H,20,22).
What are the key properties of N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide?
N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 135094445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).