5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide

C13H21N5O3 — CID 97191905

IUPAC5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCN1CCC[C@H](CCC(=O)NCc2nc(C(N)=O)no2)C1
InChIInChI=1S/C13H21N5O3/c1-18-6-2-3-9(8-18)4-5-10(19)15-7-11-16-13(12(14)20)17-21-11/h9H,2-8H2,1H3,(H2,14,20)(H,15,19)/t9-/m1/s1
InChIKeyFFLSNDUWEAVFFB-SECBINFHSA-N
MW295.34 g/mol
LogP-0.09
Rot. Bonds6

About 5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide

5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 97191905) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID97191905
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCN1CCC[C@H](CCC(=O)NCc2nc(C(N)=O)no2)C1
InChIInChI=1S/C13H21N5O3/c1-18-6-2-3-9(8-18)4-5-10(19)15-7-11-16-13(12(14)20)17-21-11/h9H,2-8H2,1H3,(H2,14,20)(H,15,19)/t9-/m1/s1
InChIKeyFFLSNDUWEAVFFB-SECBINFHSA-N
XLogP-0.09
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide with MolForge

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Related Compounds

5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 91771005
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide
CID 97146849
3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 72868563
2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 97198797
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 72862945
3-amino-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115153050
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790320
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 136861496
5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 56758642
N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 72856039
5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790166

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 97191905) is 5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide is CN1CCC[C@H](CCC(=O)NCc2nc(C(N)=O)no2)C1.
What is the InChIKey of 5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is FFLSNDUWEAVFFB-SECBINFHSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-18-6-2-3-9(8-18)4-5-10(19)15-7-11-16-13(12(14)20)17-21-11/h9H,2-8H2,1H3,(H2,14,20)(H,15,19)/t9-/m1/s1.
What are the key properties of 5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 97191905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).