4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole

C17H21N3OS — CID 70279955

IUPAC4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole
SMILESCOc1ccc2c(c1)C(C1CCN(c3csnn3)CC1)CC2
InChIInChI=1S/C17H21N3OS/c1-21-14-4-2-12-3-5-15(16(12)10-14)13-6-8-20(9-7-13)17-11-22-19-18-17/h2,4,10-11,13,15H,3,5-9H2,1H3
InChIKeyDGQSFHDLKSJXKO-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.49
Rot. Bonds3

About 4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole

4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole (PubChem CID 70279955) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole.

Molecular Properties

Compound Name4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole
PubChem CID70279955
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole
SMILESCOc1ccc2c(c1)C(C1CCN(c3csnn3)CC1)CC2
InChIInChI=1S/C17H21N3OS/c1-21-14-4-2-12-3-5-15(16(12)10-14)13-6-8-20(9-7-13)17-11-22-19-18-17/h2,4,10-11,13,15H,3,5-9H2,1H3
InChIKeyDGQSFHDLKSJXKO-UHFFFAOYSA-N
XLogP3.49
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one
CID 21461194
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpiperidine
CID 178102694
2-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-N-methylacetamide
CID 139707137
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine
CID 79368569
2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine
CID 21461147
(3aS,9bR)-8-methoxy-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 100948186
6-methoxy-2,3-dihydro-1H-indene-1-thiol
CID 79374496
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
1-[6-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 72891406
(4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 67194889

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole?
The IUPAC name of 4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole (CID 70279955) is 4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole.
What is the SMILES notation for 4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole?
The canonical SMILES for 4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole is COc1ccc2c(c1)C(C1CCN(c3csnn3)CC1)CC2.
What is the InChIKey of 4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole?
The InChIKey is DGQSFHDLKSJXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-21-14-4-2-12-3-5-15(16(12)10-14)13-6-8-20(9-7-13)17-11-22-19-18-17/h2,4,10-11,13,15H,3,5-9H2,1H3.
What are the key properties of 4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole?
4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole has a molecular weight of 315.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole is sourced from PubChem (CID 70279955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).