[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone

C16H19N3O2S — CID 56817214

IUPAC[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESCc1ccc(OC2CCN(C(=O)c3cnns3)CC2)cc1C
InChIInChI=1S/C16H19N3O2S/c1-11-3-4-14(9-12(11)2)21-13-5-7-19(8-6-13)16(20)15-10-17-18-22-15/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyWKAVUFLZFURONA-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.84
Rot. Bonds3

About [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone

[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone (PubChem CID 56817214) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone
PubChem CID56817214
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESCc1ccc(OC2CCN(C(=O)c3cnns3)CC2)cc1C
InChIInChI=1S/C16H19N3O2S/c1-11-3-4-14(9-12(11)2)21-13-5-7-19(8-6-13)16(20)15-10-17-18-22-15/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyWKAVUFLZFURONA-UHFFFAOYSA-N
XLogP2.84
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 56814293
(3,4-dimethylphenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566313
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 55803622
[(1R,3S)-3-aminocyclopentyl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
CID 124698060
(5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 129368292
4-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-methylpiperidin-2-one
CID 56814296
[4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 60958313
N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide
CID 124874989
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
CID 55803749
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70770204
(2S)-1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-2-ethoxypropan-1-one
CID 124507229

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone (CID 56817214) is [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone is Cc1ccc(OC2CCN(C(=O)c3cnns3)CC2)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is WKAVUFLZFURONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-3-4-14(9-12(11)2)21-13-5-7-19(8-6-13)16(20)15-10-17-18-22-15/h3-4,9-10,13H,5-8H2,1-2H3.
What are the key properties of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 317.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 56817214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).