2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide

C16H27N5O3 — CID 138731182

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide
SMILESCC(C)C(Nc1nnc(C(C)(C)C)o1)C(=O)NC1CCNC(=O)C1
InChIInChI=1S/C16H27N5O3/c1-9(2)12(13(23)18-10-6-7-17-11(22)8-10)19-15-21-20-14(24-15)16(3,4)5/h9-10,12H,6-8H2,1-5H3,(H,17,22)(H,18,23)(H,19,21)
InChIKeyXPCCOHBIXVFHDF-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.20
Rot. Bonds5

About 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide (PubChem CID 138731182) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide
PubChem CID138731182
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide
SMILESCC(C)C(Nc1nnc(C(C)(C)C)o1)C(=O)NC1CCNC(=O)C1
InChIInChI=1S/C16H27N5O3/c1-9(2)12(13(23)18-10-6-7-17-11(22)8-10)19-15-21-20-14(24-15)16(3,4)5/h9-10,12H,6-8H2,1-5H3,(H,17,22)(H,18,23)(H,19,21)
InChIKeyXPCCOHBIXVFHDF-UHFFFAOYSA-N
XLogP1.20
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide (CID 138731182) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide is CC(C)C(Nc1nnc(C(C)(C)C)o1)C(=O)NC1CCNC(=O)C1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide?
The InChIKey is XPCCOHBIXVFHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-9(2)12(13(23)18-10-6-7-17-11(22)8-10)19-15-21-20-14(24-15)16(3,4)5/h9-10,12H,6-8H2,1-5H3,(H,17,22)(H,18,23)(H,19,21).
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide has a molecular weight of 337.42 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]-3-methyl-N-(2-oxopiperidin-4-yl)butanamide is sourced from PubChem (CID 138731182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).