2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid

C14H23F3N2O3 — CID 119923258

IUPAC2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCN(C(C)C(=O)O)C1
InChIInChI=1S/C14H23F3N2O3/c1-3-6-19(9-14(15,16)17)12(20)11-5-4-7-18(8-11)10(2)13(21)22/h10-11H,3-9H2,1-2H3,(H,21,22)
InChIKeyVOTNKNHYSYKNAJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.97
Rot. Bonds6

About 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid

2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid (PubChem CID 119923258) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid
PubChem CID119923258
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Name2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCN(C(C)C(=O)O)C1
InChIInChI=1S/C14H23F3N2O3/c1-3-6-19(9-14(15,16)17)12(20)11-5-4-7-18(8-11)10(2)13(21)22/h10-11H,3-9H2,1-2H3,(H,21,22)
InChIKeyVOTNKNHYSYKNAJ-UHFFFAOYSA-N
XLogP1.97
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride
CID 119923251
1-(piperidin-4-ylmethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 119932159
3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 116655130
(2S)-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55009567
2-[1-[propyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683169
3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 103750590
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55664490
1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 120563518
2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 61007347
N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 87025475
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155

Frequently Asked Questions

What is the IUPAC name of 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid (CID 119923258) is 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid is CCCN(CC(F)(F)F)C(=O)C1CCCN(C(C)C(=O)O)C1.
What is the InChIKey of 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid?
The InChIKey is VOTNKNHYSYKNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-3-6-19(9-14(15,16)17)12(20)11-5-4-7-18(8-11)10(2)13(21)22/h10-11H,3-9H2,1-2H3,(H,21,22).
What are the key properties of 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid?
2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid has a molecular weight of 324.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 119923258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).