4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid

C14H23F3N2O3 — CID 119139177

IUPAC4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(CCCC(=O)O)C1
InChIInChI=1S/C14H23F3N2O3/c1-2-19(10-14(15,16)17)13(22)11-5-3-7-18(9-11)8-4-6-12(20)21/h11H,2-10H2,1H3,(H,20,21)
InChIKeyGCPGMPLRLNLHDS-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.97
Rot. Bonds7

About 4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid

4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid (PubChem CID 119139177) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid
PubChem CID119139177
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Name4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(CCCC(=O)O)C1
InChIInChI=1S/C14H23F3N2O3/c1-2-19(10-14(15,16)17)13(22)11-5-3-7-18(9-11)8-4-6-12(20)21/h11H,2-10H2,1H3,(H,20,21)
InChIKeyGCPGMPLRLNLHDS-UHFFFAOYSA-N
XLogP1.97
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid (CID 119139177) is 4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid is CCN(CC(F)(F)F)C(=O)C1CCCN(CCCC(=O)O)C1.
What is the InChIKey of 4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid?
The InChIKey is GCPGMPLRLNLHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-2-19(10-14(15,16)17)13(22)11-5-3-7-18(9-11)8-4-6-12(20)21/h11H,2-10H2,1H3,(H,20,21).
What are the key properties of 4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid?
4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid has a molecular weight of 324.34 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]butanoic acid is sourced from PubChem (CID 119139177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).