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

C18H24N4O3 — CID 87053100

IUPAC4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCc1noc(COC2CCN(C(=O)NCCc3ccccc3)CC2)n1
InChIInChI=1S/C18H24N4O3/c1-14-20-17(25-21-14)13-24-16-8-11-22(12-9-16)18(23)19-10-7-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,19,23)
InChIKeyYXHVQLWRPLEDCY-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.31
Rot. Bonds6

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

4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 87053100) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID87053100
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESCc1noc(COC2CCN(C(=O)NCCc3ccccc3)CC2)n1
InChIInChI=1S/C18H24N4O3/c1-14-20-17(25-21-14)13-24-16-8-11-22(12-9-16)18(23)19-10-7-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,19,23)
InChIKeyYXHVQLWRPLEDCY-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 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 87053100) is 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide is Cc1noc(COC2CCN(C(=O)NCCc3ccccc3)CC2)n1.
What is the InChIKey of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is YXHVQLWRPLEDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14-20-17(25-21-14)13-24-16-8-11-22(12-9-16)18(23)19-10-7-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,19,23).
What are the key properties of 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide?
4-[(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 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 87053100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).