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

C12H20N4O2 — CID 119112349

IUPAC(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1CCCC(c2nc(C)no2)C1
InChIInChI=1S/C12H20N4O2/c1-3-10(13)12(17)16-6-4-5-9(7-16)11-14-8(2)15-18-11/h9-10H,3-7,13H2,1-2H3/t9?,10-/m0/s1
InChIKeyGZOZWYGRGUKJHG-AXDSSHIGSA-N
MW252.32 g/mol
LogP0.82
Rot. Bonds3

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

(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one (PubChem CID 119112349) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
PubChem CID119112349
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1CCCC(c2nc(C)no2)C1
InChIInChI=1S/C12H20N4O2/c1-3-10(13)12(17)16-6-4-5-9(7-16)11-14-8(2)15-18-11/h9-10H,3-7,13H2,1-2H3/t9?,10-/m0/s1
InChIKeyGZOZWYGRGUKJHG-AXDSSHIGSA-N
XLogP0.82
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119112368
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866
N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 97314416
(1-aminocyclopentyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119112359
methyl N-[(2R)-4-methyl-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 95153308
1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124590894
2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119744961
3-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 56728032
cis-(1R,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131675
trans-(1S,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131677
(2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 94455628

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of (2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one (CID 119112349) is (2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one is CC[C@H](N)C(=O)N1CCCC(c2nc(C)no2)C1.
What is the InChIKey of (2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
The InChIKey is GZOZWYGRGUKJHG-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-10(13)12(17)16-6-4-5-9(7-16)11-14-8(2)15-18-11/h9-10H,3-7,13H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one has a molecular weight of 252.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119112349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).