(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

C12H19N3O2 — CID 81457893

IUPAC(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCCC1CN(C(=O)c2cc(C)on2)CCC1N
InChIInChI=1S/C12H19N3O2/c1-3-9-7-15(5-4-10(9)13)12(16)11-6-8(2)17-14-11/h6,9-10H,3-5,7,13H2,1-2H3
InChIKeyNVBFQUHRLYKNFL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.18
Rot. Bonds2

About (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 81457893) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID81457893
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCCC1CN(C(=O)c2cc(C)on2)CCC1N
InChIInChI=1S/C12H19N3O2/c1-3-9-7-15(5-4-10(9)13)12(16)11-6-8(2)17-14-11/h6,9-10H,3-5,7,13H2,1-2H3
InChIKeyNVBFQUHRLYKNFL-UHFFFAOYSA-N
XLogP1.18
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 72716281
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
(3-chloro-4-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 102961313
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 81458540
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471
(4-amino-3-ethylpiperidin-1-yl)-pyridin-2-ylmethanone
CID 81457541
[4-(1-bromoethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 106839138
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 81458199
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
methyl 2-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 99981951

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (CID 81457893) is (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is CCC1CN(C(=O)c2cc(C)on2)CCC1N.
What is the InChIKey of (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is NVBFQUHRLYKNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-9-7-15(5-4-10(9)13)12(16)11-6-8(2)17-14-11/h6,9-10H,3-5,7,13H2,1-2H3.
What are the key properties of (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 81457893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).