5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride

C17H24ClN3O3 — CID 120838673

IUPAC5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCOCC1(c2nc(Cc3ccc(OC)cc3)no2)CCNCC1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-21-12-17(7-9-18-10-8-17)16-19-15(20-23-16)11-13-3-5-14(22-2)6-4-13;/h3-6,18H,7-12H2,1-2H3;1H
InChIKeyQIYXYMMUSAGXLV-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.36
Rot. Bonds6

About 5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride

5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120838673) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120838673
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCOCC1(c2nc(Cc3ccc(OC)cc3)no2)CCNCC1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-21-12-17(7-9-18-10-8-17)16-19-15(20-23-16)11-13-3-5-14(22-2)6-4-13;/h3-6,18H,7-12H2,1-2H3;1H
InChIKeyQIYXYMMUSAGXLV-UHFFFAOYSA-N
XLogP2.36
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950128
3-[(4-fluorophenoxy)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120842824
3-[(4-fluorophenoxy)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120842825
3-[(2-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120834343
5-[4-(methoxymethyl)piperidin-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 120836392
3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120841526
3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144516
3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole
CID 100656099
3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123739
3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120842233
5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 120836273
5-(4-ethylpiperidin-4-yl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 63125817

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride (CID 120838673) is 5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride is COCC1(c2nc(Cc3ccc(OC)cc3)no2)CCNCC1.Cl.
What is the InChIKey of 5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is QIYXYMMUSAGXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c1-21-12-17(7-9-18-10-8-17)16-19-15(20-23-16)11-13-3-5-14(22-2)6-4-13;/h3-6,18H,7-12H2,1-2H3;1H.
What are the key properties of 5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride?
5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120838673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).