1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid

C14H20F3NO3 — CID 60662817

IUPAC1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)10-4-3-7-18(9-10)11(19)8-13(12(20)21)5-1-2-6-13/h10H,1-9H2,(H,20,21)
InChIKeyZCUZCAHHEPDNDP-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.82
Rot. Bonds3

About 1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 60662817) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid
PubChem CID60662817
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)10-4-3-7-18(9-10)11(19)8-13(12(20)21)5-1-2-6-13/h10H,1-9H2,(H,20,21)
InChIKeyZCUZCAHHEPDNDP-UHFFFAOYSA-N
XLogP2.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid (CID 60662817) is 1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZCUZCAHHEPDNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c15-14(16,17)10-4-3-7-18(9-10)11(19)8-13(12(20)21)5-1-2-6-13/h10H,1-9H2,(H,20,21).
What are the key properties of 1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 60662817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).