1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide

C9H18FN3O — CID 80693680

IUPAC1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCN(C)C(=O)C1CNCCN1CCF
InChIInChI=1S/C9H18FN3O/c1-12(2)9(14)8-7-11-4-6-13(8)5-3-10/h8,11H,3-7H2,1-2H3
InChIKeyWIHBGLDVCHAQGZ-UHFFFAOYSA-N
MW203.26 g/mol
LogP-0.68
Rot. Bonds3

About 1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide

1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 80693680) has the molecular formula C9H18FN3O and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide
PubChem CID80693680
Molecular FormulaC9H18FN3O
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC Name1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCN(C)C(=O)C1CNCCN1CCF
InChIInChI=1S/C9H18FN3O/c1-12(2)9(14)8-7-11-4-6-13(8)5-3-10/h8,11H,3-7H2,1-2H3
InChIKeyWIHBGLDVCHAQGZ-UHFFFAOYSA-N
XLogP-0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide (CID 80693680) is 1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide is CN(C)C(=O)C1CNCCN1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is WIHBGLDVCHAQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3O/c1-12(2)9(14)8-7-11-4-6-13(8)5-3-10/h8,11H,3-7H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide?
1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 203.26 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 80693680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).