[1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C15H23N7O2 — CID 70740161

IUPAC[1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)c1noc(C2CCCCN2C(=O)c2cn(CCN)nn2)n1
InChIInChI=1S/C15H23N7O2/c1-10(2)13-17-14(24-19-13)12-5-3-4-7-22(12)15(23)11-9-21(8-6-16)20-18-11/h9-10,12H,3-8,16H2,1-2H3
InChIKeyADDJGAITYCPJDI-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.11
Rot. Bonds5

About [1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

[1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 70740161) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is [1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID70740161
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name[1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)c1noc(C2CCCCN2C(=O)c2cn(CCN)nn2)n1
InChIInChI=1S/C15H23N7O2/c1-10(2)13-17-14(24-19-13)12-5-3-4-7-22(12)15(23)11-9-21(8-6-16)20-18-11/h9-10,12H,3-8,16H2,1-2H3
InChIKeyADDJGAITYCPJDI-UHFFFAOYSA-N
XLogP1.11
TPSA115.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-aminoethyl)triazol-4-yl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 97116754
[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72877576
2-[4-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97145776
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70743968
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97130670
4-piperidin-1-yl-1-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 97197902
(2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 95200637
[4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 97138705
1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 125154868
[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 96575341
[1-(2-aminoethyl)triazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495450
1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone
CID 97199347

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 70740161) is [1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is CC(C)c1noc(C2CCCCN2C(=O)c2cn(CCN)nn2)n1.
What is the InChIKey of [1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ADDJGAITYCPJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-10(2)13-17-14(24-19-13)12-5-3-4-7-22(12)15(23)11-9-21(8-6-16)20-18-11/h9-10,12H,3-8,16H2,1-2H3.
What are the key properties of [1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
[1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 333.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70740161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).