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

C18H20N6O2S — CID 47057092

IUPAC1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(Cc2nc(Cc3ccccc3)no2)CC1
InChIInChI=1S/C18H20N6O2S/c25-17(21-18-22-19-12-27-18)14-6-8-24(9-7-14)11-16-20-15(23-26-16)10-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,21,22,25)
InChIKeyWUHMXHFTFSDHIN-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.36
Rot. Bonds6

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

1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 47057092) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID47057092
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(Cc2nc(Cc3ccccc3)no2)CC1
InChIInChI=1S/C18H20N6O2S/c25-17(21-18-22-19-12-27-18)14-6-8-24(9-7-14)11-16-20-15(23-26-16)10-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,21,22,25)
InChIKeyWUHMXHFTFSDHIN-UHFFFAOYSA-N
XLogP2.36
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 39755777
(3R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 63365319
3-benzyl-5-[[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 164639430
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 120750699
(3S,4R)-1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410414
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
3-benzyl-5-[[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 167801523
1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523272
3-benzyl-5-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86773469
3-benzyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 35101653
N-(1-benzylpiperidin-4-yl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 46857763
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950

Frequently Asked Questions

What is the IUPAC name of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 47057092) is 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nncs1)C1CCN(Cc2nc(Cc3ccccc3)no2)CC1.
What is the InChIKey of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is WUHMXHFTFSDHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c25-17(21-18-22-19-12-27-18)14-6-8-24(9-7-14)11-16-20-15(23-26-16)10-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,21,22,25).
What are the key properties of 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 47057092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).