3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide

C18H24N4O3 — CID 87053244

IUPAC3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCc1noc(COC2CCCN(C(=O)NCCc3ccccc3)C2)n1
InChIInChI=1S/C18H24N4O3/c1-14-20-17(25-21-14)13-24-16-8-5-11-22(12-16)18(23)19-10-9-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H,19,23)
InChIKeyRQKDIXMVRVSGFK-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.31
Rot. Bonds6

About 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide

3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 87053244) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID87053244
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCc1noc(COC2CCCN(C(=O)NCCc3ccccc3)C2)n1
InChIInChI=1S/C18H24N4O3/c1-14-20-17(25-21-14)13-24-16-8-5-11-22(12-16)18(23)19-10-9-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H,19,23)
InChIKeyRQKDIXMVRVSGFK-UHFFFAOYSA-N
XLogP2.31
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.31
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)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 87053244) is 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide is Cc1noc(COC2CCCN(C(=O)NCCc3ccccc3)C2)n1.
What is the InChIKey of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is RQKDIXMVRVSGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14-20-17(25-21-14)13-24-16-8-5-11-22(12-16)18(23)19-10-9-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-13H2,1H3,(H,19,23).
What are the key properties of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide?
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.31, 6 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)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 87053244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).