(4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

C22H29N3O3S — CID 146046642

IUPAC(4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
SMILESCCCCCOc1ccc2c(c1)CCOC21CCN(C(=O)c2snnc2C)CC1
InChIInChI=1S/C22H29N3O3S/c1-3-4-5-13-27-18-6-7-19-17(15-18)8-14-28-22(19)9-11-25(12-10-22)21(26)20-16(2)23-24-29-20/h6-7,15H,3-5,8-14H2,1-2H3
InChIKeyZDPXUFPXDNKPIK-UHFFFAOYSA-N
MW415.56 g/mol
LogP4.12
Rot. Bonds6

About (4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

(4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone (PubChem CID 146046642) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
PubChem CID146046642
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name(4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
SMILESCCCCCOc1ccc2c(c1)CCOC21CCN(C(=O)c2snnc2C)CC1
InChIInChI=1S/C22H29N3O3S/c1-3-4-5-13-27-18-6-7-19-17(15-18)8-14-28-22(19)9-11-25(12-10-22)21(26)20-16(2)23-24-29-20/h6-7,15H,3-5,8-14H2,1-2H3
InChIKeyZDPXUFPXDNKPIK-UHFFFAOYSA-N
XLogP4.12
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone 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

(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 135105422
1-[5-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)thiophen-2-yl]ethanone
CID 135094281
(2-amino-5-hydroxyphenyl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135087301
4-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 163306404
imidazo[1,2-a]pyridin-6-yl-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163310408
(4-chloro-1-methylpyrrol-2-yl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135100622
cyclopentyl-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135117415
(2-amino-4-phenylpyrimidin-5-yl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163316767
(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 164689622
2,5-dihydro-1H-pyrrol-2-yl-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135092411
5-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1-methylpyrimidine-2,4-dione
CID 135119938
[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163315370

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone (CID 146046642) is (4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone is CCCCCOc1ccc2c(c1)CCOC21CCN(C(=O)c2snnc2C)CC1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone?
The InChIKey is ZDPXUFPXDNKPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-4-5-13-27-18-6-7-19-17(15-18)8-14-28-22(19)9-11-25(12-10-22)21(26)20-16(2)23-24-29-20/h6-7,15H,3-5,8-14H2,1-2H3.
What are the key properties of (4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone?
(4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone has a molecular weight of 415.56 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-(6-pentoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 146046642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).