piperazine-1-carboxamide;2,2,2-trifluoroacetic acid

C7H12F3N3O3 — CID 66857628

IUPACpiperazine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11N3O.C2HF3O2/c6-5(9)8-3-1-7-2-4-8;3-2(4,5)1(6)7/h7H,1-4H2,(H2,6,9);(H,6,7)
InChIKeyDBYDHSGMKSETNW-UHFFFAOYSA-N
MW243.18 g/mol
LogP-0.40
Rot. Bonds

About piperazine-1-carboxamide;2,2,2-trifluoroacetic acid

piperazine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 66857628) has the molecular formula C7H12F3N3O3 and a molecular weight of 243.18 g/mol. Its IUPAC name is piperazine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperazine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID66857628
Molecular FormulaC7H12F3N3O3
Molecular Weight243.18 g/mol
Exact Mass243.08
IUPAC Namepiperazine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11N3O.C2HF3O2/c6-5(9)8-3-1-7-2-4-8;3-2(4,5)1(6)7/h7H,1-4H2,(H2,6,9);(H,6,7)
InChIKeyDBYDHSGMKSETNW-UHFFFAOYSA-N
XLogP-0.40
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of piperazine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 66857628) is piperazine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperazine-1-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is DBYDHSGMKSETNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.C2HF3O2/c6-5(9)8-3-1-7-2-4-8;3-2(4,5)1(6)7/h7H,1-4H2,(H2,6,9);(H,6,7).
What are the key properties of piperazine-1-carboxamide;2,2,2-trifluoroacetic acid?
piperazine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 243.18 g/mol, XLogP of -0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66857628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).