3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide

C15H24N4O3 — CID 136569802

IUPAC3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCc1noc(C(=O)NC2CCN(C3CCOCC3)CC2)n1
InChIInChI=1S/C15H24N4O3/c1-2-13-17-15(22-18-13)14(20)16-11-3-7-19(8-4-11)12-5-9-21-10-6-12/h11-12H,2-10H2,1H3,(H,16,20)
InChIKeyBADZIGZHILYIOO-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.01
Rot. Bonds4

About 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide

3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 136569802) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID136569802
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCc1noc(C(=O)NC2CCN(C3CCOCC3)CC2)n1
InChIInChI=1S/C15H24N4O3/c1-2-13-17-15(22-18-13)14(20)16-11-3-7-19(8-4-11)12-5-9-21-10-6-12/h11-12H,2-10H2,1H3,(H,16,20)
InChIKeyBADZIGZHILYIOO-UHFFFAOYSA-N
XLogP1.01
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 118765444
2,6-dimethyl-N-[1-(oxan-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118775631
3-(2-morpholin-4-yl-2-oxoethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 51049081
1-(oxan-4-yl)-N-propylpiperidin-4-amine
CID 43610262
2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 118774564
4-(2-methyltetrazol-5-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 118793021
N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17082850
3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 126834663
2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide
CID 126834660
N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51100554
N-ethyl-1-(oxan-4-yl)piperidin-4-amine;molecular hydrogen
CID 176945985
4-(2-fluoro-6-methylphenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 142995019

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide (CID 136569802) is 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide is CCc1noc(C(=O)NC2CCN(C3CCOCC3)CC2)n1.
What is the InChIKey of 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is BADZIGZHILYIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-2-13-17-15(22-18-13)14(20)16-11-3-7-19(8-4-11)12-5-9-21-10-6-12/h11-12H,2-10H2,1H3,(H,16,20).
What are the key properties of 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide?
3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 136569802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).