1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone

C14H23N3O2 — CID 50957834

IUPAC1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone
SMILESCCc1cc(CN(C)C2CCN(C(C)=O)CC2)on1
InChIInChI=1S/C14H23N3O2/c1-4-12-9-14(19-15-12)10-16(3)13-5-7-17(8-6-13)11(2)18/h9,13H,4-8,10H2,1-3H3
InChIKeyYQJJPQRSKUMHEX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.68
Rot. Bonds4

About 1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone

1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone (PubChem CID 50957834) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone
PubChem CID50957834
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone
SMILESCCc1cc(CN(C)C2CCN(C(C)=O)CC2)on1
InChIInChI=1S/C14H23N3O2/c1-4-12-9-14(19-15-12)10-16(3)13-5-7-17(8-6-13)11(2)18/h9,13H,4-8,10H2,1-3H3
InChIKeyYQJJPQRSKUMHEX-UHFFFAOYSA-N
XLogP1.68
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone (CID 50957834) is 1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone is CCc1cc(CN(C)C2CCN(C(C)=O)CC2)on1.
What is the InChIKey of 1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone?
The InChIKey is YQJJPQRSKUMHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-12-9-14(19-15-12)10-16(3)13-5-7-17(8-6-13)11(2)18/h9,13H,4-8,10H2,1-3H3.
What are the key properties of 1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone?
1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone has a molecular weight of 265.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 50957834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).