3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid

C12H19F3N2O3 — CID 63227814

IUPAC3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)5-6-16-11(20)17-7-3-9(4-8-17)1-2-10(18)19/h9H,1-8H2,(H,16,20)(H,18,19)
InChIKeyBWUUXJZGFPBVNT-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.23
Rot. Bonds5

About 3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid

3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid (PubChem CID 63227814) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid
PubChem CID63227814
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)5-6-16-11(20)17-7-3-9(4-8-17)1-2-10(18)19/h9H,1-8H2,(H,16,20)(H,18,19)
InChIKeyBWUUXJZGFPBVNT-UHFFFAOYSA-N
XLogP2.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid (CID 63227814) is 3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)NCCC(F)(F)F)CC1.
What is the InChIKey of 3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid?
The InChIKey is BWUUXJZGFPBVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c13-12(14,15)5-6-16-11(20)17-7-3-9(4-8-17)1-2-10(18)19/h9H,1-8H2,(H,16,20)(H,18,19).
What are the key properties of 3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid?
3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid has a molecular weight of 296.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 63227814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).