(2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

C14H23N3O2 — CID 124694132

IUPAC(2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
SMILESCc1noc(C)c1[C@H](C)C(=O)N1CC[C@@H](N)C[C@@H]1C
InChIInChI=1S/C14H23N3O2/c1-8-7-12(15)5-6-17(8)14(18)9(2)13-10(3)16-19-11(13)4/h8-9,12H,5-7,15H2,1-4H3/t8-,9-,12+/m0/s1
InChIKeyLHKGICDVGRIUMC-HOTUBEGUSA-N
MW265.36 g/mol
LogP1.73
Rot. Bonds2

About (2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

(2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one (PubChem CID 124694132) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
PubChem CID124694132
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
SMILESCc1noc(C)c1[C@H](C)C(=O)N1CC[C@@H](N)C[C@@H]1C
InChIInChI=1S/C14H23N3O2/c1-8-7-12(15)5-6-17(8)14(18)9(2)13-10(3)16-19-11(13)4/h8-9,12H,5-7,15H2,1-4H3/t8-,9-,12+/m0/s1
InChIKeyLHKGICDVGRIUMC-HOTUBEGUSA-N
XLogP1.73
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one
CID 124570591
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95329043
1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one
CID 114028861
(3R)-4-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 125153746
(3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124690967
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95296695
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95735841
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 75469070
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]propan-1-one
CID 111472406
(4-amino-2-methylpiperidin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 113269109
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95606132
1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 122149010

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The IUPAC name of (2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one (CID 124694132) is (2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one.
What is the SMILES notation for (2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The canonical SMILES for (2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one is Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@@H](N)C[C@@H]1C.
What is the InChIKey of (2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The InChIKey is LHKGICDVGRIUMC-HOTUBEGUSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-8-7-12(15)5-6-17(8)14(18)9(2)13-10(3)16-19-11(13)4/h8-9,12H,5-7,15H2,1-4H3/t8-,9-,12+/m0/s1.
What are the key properties of (2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
(2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one has a molecular weight of 265.36 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one is sourced from PubChem (CID 124694132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).