1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone

C18H29N3O3 — CID 56775669

IUPAC1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2(Cc3cc(CC(C)C)on3)COC2)CC1
InChIInChI=1S/C18H29N3O3/c1-13(2)8-17-9-16(20-24-17)10-18(11-23-12-18)19-15-4-6-21(7-5-15)14(3)22/h9,13,15,19H,4-8,10-12H2,1-3H3
InChIKeyIPYRQSUAIKHRQT-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.79
Rot. Bonds6

About 1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone

1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone (PubChem CID 56775669) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone
PubChem CID56775669
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2(Cc3cc(CC(C)C)on3)COC2)CC1
InChIInChI=1S/C18H29N3O3/c1-13(2)8-17-9-16(20-24-17)10-18(11-23-12-18)19-15-4-6-21(7-5-15)14(3)22/h9,13,15,19H,4-8,10-12H2,1-3H3
InChIKeyIPYRQSUAIKHRQT-UHFFFAOYSA-N
XLogP1.79
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone (CID 56775669) is 1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2(Cc3cc(CC(C)C)on3)COC2)CC1.
What is the InChIKey of 1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is IPYRQSUAIKHRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13(2)8-17-9-16(20-24-17)10-18(11-23-12-18)19-15-4-6-21(7-5-15)14(3)22/h9,13,15,19H,4-8,10-12H2,1-3H3.
What are the key properties of 1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 335.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 56775669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).