3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide

C14H22N4O3 — CID 48915412

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
SMILESCc1noc(C2CCCN(C(=O)NCC3CCCO3)C2)n1
InChIInChI=1S/C14H22N4O3/c1-10-16-13(21-17-10)11-4-2-6-18(9-11)14(19)15-8-12-5-3-7-20-12/h11-12H,2-9H2,1H3,(H,15,19)
InChIKeyPXEZWPZRRVGENJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.45
Rot. Bonds3

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 48915412) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
PubChem CID48915412
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
SMILESCc1noc(C2CCCN(C(=O)NCC3CCCO3)C2)n1
InChIInChI=1S/C14H22N4O3/c1-10-16-13(21-17-10)11-4-2-6-18(9-11)14(19)15-8-12-5-3-7-20-12/h11-12H,2-9H2,1H3,(H,15,19)
InChIKeyPXEZWPZRRVGENJ-UHFFFAOYSA-N
XLogP1.45
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide (CID 48915412) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide is Cc1noc(C2CCCN(C(=O)NCC3CCCO3)C2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is PXEZWPZRRVGENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-16-13(21-17-10)11-4-2-6-18(9-11)14(19)15-8-12-5-3-7-20-12/h11-12H,2-9H2,1H3,(H,15,19).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 48915412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).