4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide

C12H21N5O2 — CID 38132376

IUPAC4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCCc1noc(CN2CCN(C(=O)N(C)C)CC2)n1
InChIInChI=1S/C12H21N5O2/c1-4-10-13-11(19-14-10)9-16-5-7-17(8-6-16)12(18)15(2)3/h4-9H2,1-3H3
InChIKeyQGVQXSFXBGGOMI-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.43
Rot. Bonds3

About 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide

4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 38132376) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID38132376
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCCc1noc(CN2CCN(C(=O)N(C)C)CC2)n1
InChIInChI=1S/C12H21N5O2/c1-4-10-13-11(19-14-10)9-16-5-7-17(8-6-16)12(18)15(2)3/h4-9H2,1-3H3
InChIKeyQGVQXSFXBGGOMI-UHFFFAOYSA-N
XLogP0.43
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide (CID 38132376) is 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide is CCc1noc(CN2CCN(C(=O)N(C)C)CC2)n1.
What is the InChIKey of 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is QGVQXSFXBGGOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-10-13-11(19-14-10)9-16-5-7-17(8-6-16)12(18)15(2)3/h4-9H2,1-3H3.
What are the key properties of 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 38132376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).