2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O3 — CID 79258574

IUPAC2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)CC1CCNCC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)7-16(6-10(18)19)9(17)5-8-1-3-15-4-2-8/h8,15H,1-7H2,(H,18,19)
InChIKeyBFZRXCVKEGAUBQ-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.85
Rot. Bonds5

About 2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258574) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258574
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)CC1CCNCC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)7-16(6-10(18)19)9(17)5-8-1-3-15-4-2-8/h8,15H,1-7H2,(H,18,19)
InChIKeyBFZRXCVKEGAUBQ-UHFFFAOYSA-N
XLogP0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-Oxo-5-(trifluoromethyl)piperidin-1-yl]acetic acid
CID 136576052
2-[1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]acetamide
CID 53522452
3-[(Dimethylamino)carbonyl]piperidine trifluoroacetic acid salt
CID 22929373
N,N-dimethyl-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 68471258
n-Methyl-n-piperidin-4-ylmethyl-acetamide trifluoroacetate
CID 68476071
2-(3-Oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid
CID 68761551
2-Piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 70864620
N,N-Dimethylpiperidine-4-carboxamide 2,2,2-trifluoroacetate
CID 118607702
Azetidin-1-yl(piperidin-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 153573870
N-(4-Fluoropiperidine-4-carbonyl)-N-methyl-L-valine
CID 156312271
2-[(4-Fluoropiperidine-4-carbonyl)-methylamino]-3-methylbutanoic acid
CID 156312272
2-(4-Carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 162326543

Frequently Asked Questions

What is the IUPAC name of 2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258574) is 2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)CC1CCNCC1.
What is the InChIKey of 2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is BFZRXCVKEGAUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)7-16(6-10(18)19)9(17)5-8-1-3-15-4-2-8/h8,15H,1-7H2,(H,18,19).
What are the key properties of 2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperidin-4-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).