2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide

C12H21N5O2 — CID 106397425

IUPAC2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NCCc1ncno1)N1CCNCC1
InChIInChI=1S/C12H21N5O2/c1-12(2,17-7-5-13-6-8-17)11(18)14-4-3-10-15-9-16-19-10/h9,13H,3-8H2,1-2H3,(H,14,18)
InChIKeyRYMORRWLFLIFKL-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.59
Rot. Bonds5

About 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide

2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide (PubChem CID 106397425) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide
PubChem CID106397425
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NCCc1ncno1)N1CCNCC1
InChIInChI=1S/C12H21N5O2/c1-12(2,17-7-5-13-6-8-17)11(18)14-4-3-10-15-9-16-19-10/h9,13H,3-8H2,1-2H3,(H,14,18)
InChIKeyRYMORRWLFLIFKL-UHFFFAOYSA-N
XLogP-0.59
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide (CID 106397425) is 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide is CC(C)(C(=O)NCCc1ncno1)N1CCNCC1.
What is the InChIKey of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide?
The InChIKey is RYMORRWLFLIFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-12(2,17-7-5-13-6-8-17)11(18)14-4-3-10-15-9-16-19-10/h9,13H,3-8H2,1-2H3,(H,14,18).
What are the key properties of 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide?
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide has a molecular weight of 267.33 g/mol, XLogP of -0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 106397425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).