8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide

C20H24N2O3S — CID 135091799

IUPAC8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide
SMILESCOc1cccc2c1C1(CCN(C(=O)NCc3cccs3)CC1)OCC2
InChIInChI=1S/C20H24N2O3S/c1-24-17-6-2-4-15-7-12-25-20(18(15)17)8-10-22(11-9-20)19(23)21-14-16-5-3-13-26-16/h2-6,13H,7-12,14H2,1H3,(H,21,23)
InChIKeyUWYCMLPRJQXATP-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.53
Rot. Bonds3

About 8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide

8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide (PubChem CID 135091799) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide
PubChem CID135091799
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide
SMILESCOc1cccc2c1C1(CCN(C(=O)NCc3cccs3)CC1)OCC2
InChIInChI=1S/C20H24N2O3S/c1-24-17-6-2-4-15-7-12-25-20(18(15)17)8-10-22(11-9-20)19(23)21-14-16-5-3-13-26-16/h2-6,13H,7-12,14H2,1H3,(H,21,23)
InChIKeyUWYCMLPRJQXATP-UHFFFAOYSA-N
XLogP3.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-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

(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone
CID 135119505
2-hydroxy-1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-4-methylpentan-1-one
CID 135119299
(2-chlorophenyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135098887
N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 71785150
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(1,2-oxazol-3-yl)methanone
CID 135092256
(4,6-dimethylpyrimidin-5-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135095343
(5-chloro-2-pyridinyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135113554
N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
CID 56764711
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(1H-pyrazol-4-yl)methanone
CID 135104777
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 135106179
(2-methoxy-4-pyridinyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135104461
(5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 165420309

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of 8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide (CID 135091799) is 8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide is COc1cccc2c1C1(CCN(C(=O)NCc3cccs3)CC1)OCC2.
What is the InChIKey of 8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide?
The InChIKey is UWYCMLPRJQXATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-24-17-6-2-4-15-7-12-25-20(18(15)17)8-10-22(11-9-20)19(23)21-14-16-5-3-13-26-16/h2-6,13H,7-12,14H2,1H3,(H,21,23).
What are the key properties of 8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide?
8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(thiophen-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 135091799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).