1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide

C10H16F3N3O3 — CID 103209534

IUPAC1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-4-1-8(17)16-3-2-15-5-7(16)9(14)18/h7,15H,1-6H2,(H2,14,18)
InChIKeyQJXCLSXVYKCAPP-UHFFFAOYSA-N
MW283.25 g/mol
LogP-0.76
Rot. Bonds5

About 1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide

1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide (PubChem CID 103209534) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide
PubChem CID103209534
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-4-1-8(17)16-3-2-15-5-7(16)9(14)18/h7,15H,1-6H2,(H2,14,18)
InChIKeyQJXCLSXVYKCAPP-UHFFFAOYSA-N
XLogP-0.76
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-2-carboxylate
CID 78991952
1-N,1-N-dimethylpiperazine-1,2-dicarboxamide
CID 79154530
1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63030408
1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 124677486
1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103205473
3-(2,2-difluoroethoxy)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one
CID 103209719
2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid
CID 66435738
1-[4-(1-chloroethyl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 106839016
1-(4-hydroxy-3-methylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 114680112
1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209576
1-(3-amino-3-propan-2-ylazetidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103212944
1-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide
CID 155982994

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide (CID 103209534) is 1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide is NC(=O)C1CNCCN1C(=O)CCOCC(F)(F)F.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide?
The InChIKey is QJXCLSXVYKCAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c11-10(12,13)6-19-4-1-8(17)16-3-2-15-5-7(16)9(14)18/h7,15H,1-6H2,(H2,14,18).
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide?
1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide has a molecular weight of 283.25 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 103209534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).