4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid

C9H10F3N3O3 — CID 18449287

IUPAC4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
SMILESN#CC1(NC(=O)C(F)(F)F)CCN(C(=O)O)CC1
InChIInChI=1S/C9H10F3N3O3/c10-9(11,12)6(16)14-8(5-13)1-3-15(4-2-8)7(17)18/h1-4H2,(H,14,16)(H,17,18)
InChIKeyDSESNGDPXKGXFU-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.70
Rot. Bonds1

About 4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid

4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid (PubChem CID 18449287) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
PubChem CID18449287
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
SMILESN#CC1(NC(=O)C(F)(F)F)CCN(C(=O)O)CC1
InChIInChI=1S/C9H10F3N3O3/c10-9(11,12)6(16)14-8(5-13)1-3-15(4-2-8)7(17)18/h1-4H2,(H,14,16)(H,17,18)
InChIKeyDSESNGDPXKGXFU-UHFFFAOYSA-N
XLogP0.70
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid (CID 18449287) is 4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid is N#CC1(NC(=O)C(F)(F)F)CCN(C(=O)O)CC1.
What is the InChIKey of 4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The InChIKey is DSESNGDPXKGXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c10-9(11,12)6(16)14-8(5-13)1-3-15(4-2-8)7(17)18/h1-4H2,(H,14,16)(H,17,18).
What are the key properties of 4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid has a molecular weight of 265.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 18449287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).