5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine

C16H22N4O — CID 79993658

IUPAC5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
SMILESCc1ccc(-c2noc(CN3CC(C)CC(N)C3)n2)cc1
InChIInChI=1S/C16H22N4O/c1-11-3-5-13(6-4-11)16-18-15(21-19-16)10-20-8-12(2)7-14(17)9-20/h3-6,12,14H,7-10,17H2,1-2H3
InChIKeyQVHAOBZJNLQSKZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.21
Rot. Bonds3

About 5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine

5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine (PubChem CID 79993658) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
PubChem CID79993658
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
SMILESCc1ccc(-c2noc(CN3CC(C)CC(N)C3)n2)cc1
InChIInChI=1S/C16H22N4O/c1-11-3-5-13(6-4-11)16-18-15(21-19-16)10-20-8-12(2)7-14(17)9-20/h3-6,12,14H,7-10,17H2,1-2H3
InChIKeyQVHAOBZJNLQSKZ-UHFFFAOYSA-N
XLogP2.21
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-5-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 8539727
5-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine
CID 79992774
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine
CID 79993644
3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 118785977
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62370851
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905454
(2S,6R)-4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 26493802
3-(4-methylphenyl)-5-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134236199
(3-aminocyclohexyl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839983
(2R,6S)-2,6-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 25310094
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine
CID 79993305
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908822

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
The IUPAC name of 5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine (CID 79993658) is 5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
The canonical SMILES for 5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine is Cc1ccc(-c2noc(CN3CC(C)CC(N)C3)n2)cc1.
What is the InChIKey of 5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
The InChIKey is QVHAOBZJNLQSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-3-5-13(6-4-11)16-18-15(21-19-16)10-20-8-12(2)7-14(17)9-20/h3-6,12,14H,7-10,17H2,1-2H3.
What are the key properties of 5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 79993658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).