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

C16H22N4O — CID 120774254

IUPAC3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2noc(-c3ccccc3)n2)CCC1N
InChIInChI=1S/C16H22N4O/c1-16(2)11-20(9-8-13(16)17)10-14-18-15(21-19-14)12-6-4-3-5-7-12/h3-7,13H,8-11,17H2,1-2H3
InChIKeySWNWDXBXUMHSSV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.30
Rot. Bonds3

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

3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine (PubChem CID 120774254) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
PubChem CID120774254
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2noc(-c3ccccc3)n2)CCC1N
InChIInChI=1S/C16H22N4O/c1-16(2)11-20(9-8-13(16)17)10-14-18-15(21-19-14)12-6-4-3-5-7-12/h3-7,13H,8-11,17H2,1-2H3
InChIKeySWNWDXBXUMHSSV-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-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

1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325
3-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 115874108
(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 78963265
3-amino-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324729
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137340212
(3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 95713854
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032406
N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 62545982
3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120782200
[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915596
1-[[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine
CID 120776537

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine (CID 120774254) is 3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine is CC1(C)CN(Cc2noc(-c3ccccc3)n2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is SWNWDXBXUMHSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2)11-20(9-8-13(16)17)10-14-18-15(21-19-14)12-6-4-3-5-7-12/h3-7,13H,8-11,17H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine?
3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 120774254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).