N,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)

C11H17F6N3O5 — CID 87327729

IUPACN,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C(=O)N1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N3O.2C2HF3O2/c1-9(2)7(11)10-5-3-8-4-6-10;2*3-2(4,5)1(6)7/h8H,3-6H2,1-2H3;2*(H,6,7)
InChIKeyBJYOIDXHBQGWBF-UHFFFAOYSA-N
MW385.26 g/mol
LogP0.84
Rot. Bonds

About N,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)

N,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87327729) has the molecular formula C11H17F6N3O5 and a molecular weight of 385.26 g/mol. Its IUPAC name is N,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID87327729
Molecular FormulaC11H17F6N3O5
Molecular Weight385.26 g/mol
Exact Mass385.11
IUPAC NameN,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C(=O)N1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N3O.2C2HF3O2/c1-9(2)7(11)10-5-3-8-4-6-10;2*3-2(4,5)1(6)7/h8H,3-6H2,1-2H3;2*(H,6,7)
InChIKeyBJYOIDXHBQGWBF-UHFFFAOYSA-N
XLogP0.84
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 87327729) is N,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) is CN(C)C(=O)N1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is BJYOIDXHBQGWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.2C2HF3O2/c1-9(2)7(11)10-5-3-8-4-6-10;2*3-2(4,5)1(6)7/h8H,3-6H2,1-2H3;2*(H,6,7).
What are the key properties of N,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 385.26 g/mol, XLogP of 0.84, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpiperazine-1-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87327729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).