1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid

C10H14F3N3O2 — CID 83992653

IUPAC1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESN#CCN1CC(NCC(F)(F)F)CC(C(=O)O)C1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)6-15-8-3-7(9(17)18)4-16(5-8)2-1-14/h7-8,15H,2-6H2,(H,17,18)
InChIKeyATEGKIFOTIQCTE-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.44
Rot. Bonds4

About 1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid

1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (PubChem CID 83992653) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
PubChem CID83992653
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESN#CCN1CC(NCC(F)(F)F)CC(C(=O)O)C1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)6-15-8-3-7(9(17)18)4-16(5-8)2-1-14/h7-8,15H,2-6H2,(H,17,18)
InChIKeyATEGKIFOTIQCTE-UHFFFAOYSA-N
XLogP0.44
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992134
2-[3-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetonitrile
CID 83992649
1-(cyanomethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544166
1-cyclopentyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992445
1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995388
2-[3-(2,2-dimethylpropylamino)-5-(1-hydroxypropyl)piperidin-1-yl]acetonitrile
CID 83995432
2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992106
1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one
CID 83992307
1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995032
N-[1-(cyanomethyl)-5-ethylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542473
5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylic acid
CID 83993007
N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]-2-methylpropanamide
CID 112542922

Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (CID 83992653) is 1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is N#CCN1CC(NCC(F)(F)F)CC(C(=O)O)C1.
What is the InChIKey of 1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The InChIKey is ATEGKIFOTIQCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c11-10(12,13)6-15-8-3-7(9(17)18)4-16(5-8)2-1-14/h7-8,15H,2-6H2,(H,17,18).
What are the key properties of 1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83992653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).