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

C13H23N5O2 — CID 106962035

IUPAC1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one
SMILESCC(C)CNCc1nnc(NC2CCC(=O)N(C)C2)o1
InChIInChI=1S/C13H23N5O2/c1-9(2)6-14-7-11-16-17-13(20-11)15-10-4-5-12(19)18(3)8-10/h9-10,14H,4-8H2,1-3H3,(H,15,17)
InChIKeyVLGHLBWKQMQGLH-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.85
Rot. Bonds6

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

1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one (PubChem CID 106962035) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one
PubChem CID106962035
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one
SMILESCC(C)CNCc1nnc(NC2CCC(=O)N(C)C2)o1
InChIInChI=1S/C13H23N5O2/c1-9(2)6-14-7-11-16-17-13(20-11)15-10-4-5-12(19)18(3)8-10/h9-10,14H,4-8H2,1-3H3,(H,15,17)
InChIKeyVLGHLBWKQMQGLH-UHFFFAOYSA-N
XLogP0.85
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one (CID 106962035) is 1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one is CC(C)CNCc1nnc(NC2CCC(=O)N(C)C2)o1.
What is the InChIKey of 1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one?
The InChIKey is VLGHLBWKQMQGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-9(2)6-14-7-11-16-17-13(20-11)15-10-4-5-12(19)18(3)8-10/h9-10,14H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one?
1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one is sourced from PubChem (CID 106962035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).