3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide

C15H23N7O3 — CID 50973083

IUPAC3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide
SMILESCCn1c(C2CCNCC2)nn(Cc2noc(C(=O)N(C)C)n2)c1=O
InChIInChI=1S/C15H23N7O3/c1-4-21-12(10-5-7-16-8-6-10)18-22(15(21)24)9-11-17-13(25-19-11)14(23)20(2)3/h10,16H,4-9H2,1-3H3
InChIKeyXPICYBSQZLECCZ-UHFFFAOYSA-N
MW349.40 g/mol
LogP-0.34
Rot. Bonds5

About 3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide

3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 50973083) has the molecular formula C15H23N7O3 and a molecular weight of 349.40 g/mol. Its IUPAC name is 3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID50973083
Molecular FormulaC15H23N7O3
Molecular Weight349.40 g/mol
Exact Mass349.19
IUPAC Name3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide
SMILESCCn1c(C2CCNCC2)nn(Cc2noc(C(=O)N(C)C)n2)c1=O
InChIInChI=1S/C15H23N7O3/c1-4-21-12(10-5-7-16-8-6-10)18-22(15(21)24)9-11-17-13(25-19-11)14(23)20(2)3/h10,16H,4-9H2,1-3H3
InChIKeyXPICYBSQZLECCZ-UHFFFAOYSA-N
XLogP-0.34
TPSA111.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-ethyl-5-piperidin-4-yl-2-(pyrimidin-2-ylmethyl)-1,2,4-triazol-3-one;hydrochloride
CID 154889711
4-ethyl-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-one
CID 95212980
4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one
CID 50978136
4-ethyl-2-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-one
CID 95553065
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[(3S)-1-(piperidine-4-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95217424
2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one
CID 112707871
4-ethyl-5-[(2S,3S)-3-phenyloxolan-2-yl]-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-triazol-3-one
CID 129007256
4-ethyl-2-(4-hydroxybutyl)-5-piperidin-3-yl-1,2,4-triazol-3-one;dihydrochloride
CID 171687125
N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 121115333
4-ethyl-5-[(3R)-piperidin-3-yl]-2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-one
CID 95214808
4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine
CID 82463375
2-benzyl-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-one
CID 121115397

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide (CID 50973083) is 3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide is CCn1c(C2CCNCC2)nn(Cc2noc(C(=O)N(C)C)n2)c1=O.
What is the InChIKey of 3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XPICYBSQZLECCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O3/c1-4-21-12(10-5-7-16-8-6-10)18-22(15(21)24)9-11-17-13(25-19-11)14(23)20(2)3/h10,16H,4-9H2,1-3H3.
What are the key properties of 3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide?
3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 349.40 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 50973083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).