3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C17H22N4O2S — CID 46991912

IUPAC3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCC(COc3ccccc3C)C2)n1
InChIInChI=1S/C17H22N4O2S/c1-12-6-3-4-8-15(12)23-11-14-7-5-9-21(10-14)17(22)19-16-18-13(2)20-24-16/h3-4,6,8,14H,5,7,9-11H2,1-2H3,(H,18,19,20,22)
InChIKeyGFIKNVLCNMKUMV-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.48
Rot. Bonds4

About 3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46991912) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46991912
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCC(COc3ccccc3C)C2)n1
InChIInChI=1S/C17H22N4O2S/c1-12-6-3-4-8-15(12)23-11-14-7-5-9-21(10-14)17(22)19-16-18-13(2)20-24-16/h3-4,6,8,14H,5,7,9-11H2,1-2H3,(H,18,19,20,22)
InChIKeyGFIKNVLCNMKUMV-UHFFFAOYSA-N
XLogP3.48
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 162679482
2,2-dimethyl-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 110638458
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 124809448
N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
CID 46993854
(3R)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(2-methylphenoxy)methyl]piperidine-1-carboxamide
CID 137065762
4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992089
[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methanone
CID 46972140
[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methanone
CID 51586936
N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 116658033
[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 46972019
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 119071108
methyl 4-[(2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110411471

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46991912) is 3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCCC(COc3ccccc3C)C2)n1.
What is the InChIKey of 3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is GFIKNVLCNMKUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12-6-3-4-8-15(12)23-11-14-7-5-9-21(10-14)17(22)19-16-18-13(2)20-24-16/h3-4,6,8,14H,5,7,9-11H2,1-2H3,(H,18,19,20,22).
What are the key properties of 3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46991912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).