(2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one

C14H24N4O2 — CID 119744954

IUPAC(2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
SMILESCc1noc(C2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)n1
InChIInChI=1S/C14H24N4O2/c1-9-16-12(20-17-9)10-5-7-18(8-6-10)13(19)11(15)14(2,3)4/h10-11H,5-8,15H2,1-4H3/t11-/m1/s1
InChIKeyGPJOWDWKKRBILO-LLVKDONJSA-N
MW280.37 g/mol
LogP1.46
Rot. Bonds2

About (2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one

(2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one (PubChem CID 119744954) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
PubChem CID119744954
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
SMILESCc1noc(C2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)n1
InChIInChI=1S/C14H24N4O2/c1-9-16-12(20-17-9)10-5-7-18(8-6-10)13(19)11(15)14(2,3)4/h10-11H,5-8,15H2,1-4H3/t11-/m1/s1
InChIKeyGPJOWDWKKRBILO-LLVKDONJSA-N
XLogP1.46
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one 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

2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119744961
(2S)-2-amino-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119301181
(1-aminocyclopentyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119301188
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
(2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119112368
1,4-dioxan-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 47369855
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 136578700
(2-cyclopropylcyclopropyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 71923599
(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119112349
(2S)-2-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 119856629
2-methyl-N-[3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 55886476
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one (CID 119744954) is (2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one is Cc1noc(C2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)n1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
The InChIKey is GPJOWDWKKRBILO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-16-12(20-17-9)10-5-7-18(8-6-10)13(19)11(15)14(2,3)4/h10-11H,5-8,15H2,1-4H3/t11-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
(2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one has a molecular weight of 280.37 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119744954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).