2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid

C11H17F3N2O3 — CID 55175147

IUPAC2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)3-4-15-10(19)16-5-1-2-8(7-16)6-9(17)18/h8H,1-7H2,(H,15,19)(H,17,18)
InChIKeyXKAYHKXVDLMEKM-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.84
Rot. Bonds4

About 2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid

2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid (PubChem CID 55175147) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid
PubChem CID55175147
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)3-4-15-10(19)16-5-1-2-8(7-16)6-9(17)18/h8H,1-7H2,(H,15,19)(H,17,18)
InChIKeyXKAYHKXVDLMEKM-UHFFFAOYSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid (CID 55175147) is 2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)NCCC(F)(F)F)C1.
What is the InChIKey of 2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid?
The InChIKey is XKAYHKXVDLMEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)3-4-15-10(19)16-5-1-2-8(7-16)6-9(17)18/h8H,1-7H2,(H,15,19)(H,17,18).
What are the key properties of 2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid?
2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoropropylcarbamoyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 55175147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).