3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one

C12H21N5O2 — CID 106960470

IUPAC3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one
SMILESCC(C)(C)NCc1nnc(NC2CCCNC2=O)o1
InChIInChI=1S/C12H21N5O2/c1-12(2,3)14-7-9-16-17-11(19-9)15-8-5-4-6-13-10(8)18/h8,14H,4-7H2,1-3H3,(H,13,18)(H,15,17)
InChIKeyKPQUWCRYSJRVHL-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.65
Rot. Bonds4

About 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one

3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one (PubChem CID 106960470) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one
PubChem CID106960470
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one
SMILESCC(C)(C)NCc1nnc(NC2CCCNC2=O)o1
InChIInChI=1S/C12H21N5O2/c1-12(2,3)14-7-9-16-17-11(19-9)15-8-5-4-6-13-10(8)18/h8,14H,4-7H2,1-3H3,(H,13,18)(H,15,17)
InChIKeyKPQUWCRYSJRVHL-UHFFFAOYSA-N
XLogP0.65
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
5-[(tert-butylamino)methyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-oxadiazol-2-amine
CID 106960597
5-[(tert-butylamino)methyl]-N-[(2-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969824
2-(tert-butylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 49495846
5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106965461
5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine
CID 106970928
3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide
CID 55033831
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one
CID 63873802
3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one
CID 114600542
3-[(6-amino-1,3-benzoxazol-2-yl)amino]piperidin-2-one
CID 79893578
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one
CID 80817246

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one?
The IUPAC name of 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one (CID 106960470) is 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one?
The canonical SMILES for 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one is CC(C)(C)NCc1nnc(NC2CCCNC2=O)o1.
What is the InChIKey of 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one?
The InChIKey is KPQUWCRYSJRVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-12(2,3)14-7-9-16-17-11(19-9)15-8-5-4-6-13-10(8)18/h8,14H,4-7H2,1-3H3,(H,13,18)(H,15,17).
What are the key properties of 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one?
3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one is sourced from PubChem (CID 106960470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).