2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid

C12H17F3N2O3 — CID 106216340

IUPAC2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)11(3-4-11)16-10(20)17-5-1-8(2-6-17)7-9(18)19/h8H,1-7H2,(H,16,20)(H,18,19)
InChIKeyDGKVQKROXUWRFW-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.98
Rot. Bonds3

About 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid

2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 106216340) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid
PubChem CID106216340
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C12H17F3N2O3/c13-12(14,15)11(3-4-11)16-10(20)17-5-1-8(2-6-17)7-9(18)19/h8H,1-7H2,(H,16,20)(H,18,19)
InChIKeyDGKVQKROXUWRFW-UHFFFAOYSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid (CID 106216340) is 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)NC2(C(F)(F)F)CC2)CC1.
What is the InChIKey of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is DGKVQKROXUWRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c13-12(14,15)11(3-4-11)16-10(20)17-5-1-8(2-6-17)7-9(18)19/h8H,1-7H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 294.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 106216340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).