1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid

C9H13F3N2O3 — CID 82163438

IUPAC1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)8(17)13-5-14-3-1-2-6(4-14)7(15)16/h6H,1-5H2,(H,13,17)(H,15,16)
InChIKeySQKSQIIOMZMSJR-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.42
Rot. Bonds3

About 1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid

1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid (PubChem CID 82163438) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid
PubChem CID82163438
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)8(17)13-5-14-3-1-2-6(4-14)7(15)16/h6H,1-5H2,(H,13,17)(H,15,16)
InChIKeySQKSQIIOMZMSJR-UHFFFAOYSA-N
XLogP0.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2,2,2-trifluoroacetyl)amino]methyl]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-(2,2,2-Trifluoroethylcarbamoyl)piperidine-3-carboxylic acid
CID 43135810
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid
CID 43440792
1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
CID 55010133
1-[Methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
CID 60890649
1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
CID 61607356
3-Methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136128
3-Ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136169
3-Propyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136170
1-(3,3,3-Trifluoropropylcarbamoyl)piperidine-3-carboxylic acid
CID 63227686
3-Methyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid
CID 63227690
3-Ethyl-1-(3,3,3-trifluoropropylcarbamoyl)piperidine-3-carboxylic acid
CID 63227691
5-[[4-(Trifluoromethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 65530016

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid (CID 82163438) is 1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(CNC(=O)C(F)(F)F)C1.
What is the InChIKey of 1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid?
The InChIKey is SQKSQIIOMZMSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)8(17)13-5-14-3-1-2-6(4-14)7(15)16/h6H,1-5H2,(H,13,17)(H,15,16).
What are the key properties of 1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid?
1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid has a molecular weight of 254.21 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82163438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).