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

C12H19F3N2O3 — CID 62676469

IUPAC2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESCCN(CC(F)(F)F)C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C12H19F3N2O3/c1-2-16(8-12(13,14)15)11(20)17-5-3-4-9(7-17)6-10(18)19/h9H,2-8H2,1H3,(H,18,19)
InChIKeyBRRQOSVAGCPXHV-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.18
Rot. Bonds4

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

2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid (PubChem CID 62676469) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid
PubChem CID62676469
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESCCN(CC(F)(F)F)C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C12H19F3N2O3/c1-2-16(8-12(13,14)15)11(20)17-5-3-4-9(7-17)6-10(18)19/h9H,2-8H2,1H3,(H,18,19)
InChIKeyBRRQOSVAGCPXHV-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid (CID 62676469) is 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid is CCN(CC(F)(F)F)C(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is BRRQOSVAGCPXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-2-16(8-12(13,14)15)11(20)17-5-3-4-9(7-17)6-10(18)19/h9H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid?
2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 296.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62676469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).