5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride

C22H25ClN4O3 — CID 120893210

IUPAC5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride
SMILESCOc1ccc(C2C(c3nc(-c4ccc(CN)cc4)no3)CCC(=O)N2C)cc1.Cl
InChIInChI=1S/C22H24N4O3.ClH/c1-26-19(27)12-11-18(20(26)15-7-9-17(28-2)10-8-15)22-24-21(25-29-22)16-5-3-14(13-23)4-6-16;/h3-10,18,20H,11-13,23H2,1-2H3;1H
InChIKeyQALFEBDMZSHDSI-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.70
Rot. Bonds5

About 5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride

5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride (PubChem CID 120893210) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride
PubChem CID120893210
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride
SMILESCOc1ccc(C2C(c3nc(-c4ccc(CN)cc4)no3)CCC(=O)N2C)cc1.Cl
InChIInChI=1S/C22H24N4O3.ClH/c1-26-19(27)12-11-18(20(26)15-7-9-17(28-2)10-8-15)22-24-21(25-29-22)16-5-3-14(13-23)4-6-16;/h3-10,18,20H,11-13,23H2,1-2H3;1H
InChIKeyQALFEBDMZSHDSI-UHFFFAOYSA-N
XLogP3.70
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride with MolForge

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Related Compounds

4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120893196
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 120860826
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63345681
3-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one;hydrochloride
CID 120892748
4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 120892896
6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one
CID 75379486
cis-(1S,3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323187
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
CID 137439420
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473823
3-(4-methoxyphenyl)-5-[(3S)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 27443705
4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one
CID 120893123
4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 120892563

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride?
The IUPAC name of 5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride (CID 120893210) is 5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride.
What is the SMILES notation for 5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride?
The canonical SMILES for 5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride is COc1ccc(C2C(c3nc(-c4ccc(CN)cc4)no3)CCC(=O)N2C)cc1.Cl.
What is the InChIKey of 5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride?
The InChIKey is QALFEBDMZSHDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3.ClH/c1-26-19(27)12-11-18(20(26)15-7-9-17(28-2)10-8-15)22-24-21(25-29-22)16-5-3-14(13-23)4-6-16;/h3-10,18,20H,11-13,23H2,1-2H3;1H.
What are the key properties of 5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride?
5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride has a molecular weight of 428.92 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one;hydrochloride is sourced from PubChem (CID 120893210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).