[4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate

C13H19F3N2O3 — CID 67032240

IUPAC[4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(NC1CCCC1)C1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)12(20)21-18-7-5-9(6-8-18)11(19)17-10-3-1-2-4-10/h9-10H,1-8H2,(H,17,19)
InChIKeyHZTNCWJUQKABSS-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.78
Rot. Bonds3

About [4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate

[4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 67032240) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is [4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID67032240
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name[4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESO=C(NC1CCCC1)C1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)12(20)21-18-7-5-9(6-8-18)11(19)17-10-3-1-2-4-10/h9-10H,1-8H2,(H,17,19)
InChIKeyHZTNCWJUQKABSS-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate (CID 67032240) is [4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate is O=C(NC1CCCC1)C1CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of [4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is HZTNCWJUQKABSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)12(20)21-18-7-5-9(6-8-18)11(19)17-10-3-1-2-4-10/h9-10H,1-8H2,(H,17,19).
What are the key properties of [4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 308.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 67032240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).