N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide

C8H14F3N3O — CID 63227839

IUPACN-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
SMILESO=C(NCCC(F)(F)F)C1CNCCN1
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)1-2-14-7(15)6-5-12-3-4-13-6/h6,12-13H,1-5H2,(H,14,15)
InChIKeyQSWVPPMCASUUCW-UHFFFAOYSA-N
MW225.21 g/mol
LogP-0.38
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide

N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide (PubChem CID 63227839) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
PubChem CID63227839
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC NameN-(3,3,3-trifluoropropyl)piperazine-2-carboxamide
SMILESO=C(NCCC(F)(F)F)C1CNCCN1
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)1-2-14-7(15)6-5-12-3-4-13-6/h6,12-13H,1-5H2,(H,14,15)
InChIKeyQSWVPPMCASUUCW-UHFFFAOYSA-N
XLogP-0.38
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide (CID 63227839) is N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide is O=C(NCCC(F)(F)F)C1CNCCN1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?
The InChIKey is QSWVPPMCASUUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c9-8(10,11)1-2-14-7(15)6-5-12-3-4-13-6/h6,12-13H,1-5H2,(H,14,15).
What are the key properties of N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide?
N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide has a molecular weight of 225.21 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)piperazine-2-carboxamide is sourced from PubChem (CID 63227839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).