(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

C12H18N2O2 — CID 51072597

IUPAC(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)no1
InChIInChI=1S/C12H18N2O2/c1-8-4-9(2)7-14(6-8)12(15)11-5-10(3)16-13-11/h5,8-9H,4,6-7H2,1-3H3
InChIKeyCFLCCUJLMSZVKY-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.10
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 51072597) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID51072597
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)no1
InChIInChI=1S/C12H18N2O2/c1-8-4-9(2)7-14(6-8)12(15)11-5-10(3)16-13-11/h5,8-9H,4,6-7H2,1-3H3
InChIKeyCFLCCUJLMSZVKY-UHFFFAOYSA-N
XLogP2.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428158
(3-chloro-4-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 102961313
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
(5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66201861
[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 90511562
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471
(5-methyl-1,2-oxazol-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 86265293
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[5-(3-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 92757207
(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 72716281
[(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
(3,5-dimethylpiperidin-1-yl)-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 46427191
2,2-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110328421

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (CID 51072597) is (3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CC(C)CC(C)C2)no1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is CFLCCUJLMSZVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-4-9(2)7-14(6-8)12(15)11-5-10(3)16-13-11/h5,8-9H,4,6-7H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 51072597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).