(4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate

C8H11F3N2O3 — CID 70091753

IUPAC(4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESNC(=O)C1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)7(15)16-13-3-1-5(2-4-13)6(12)14/h5H,1-4H2,(H2,12,14)
InChIKeyKBWDKLMVCUXWEM-UHFFFAOYSA-N
MW240.18 g/mol
LogP0.20
Rot. Bonds2

About (4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate

(4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 70091753) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is (4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate
PubChem CID70091753
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name(4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESNC(=O)C1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)7(15)16-13-3-1-5(2-4-13)6(12)14/h5H,1-4H2,(H2,12,14)
InChIKeyKBWDKLMVCUXWEM-UHFFFAOYSA-N
XLogP0.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate (CID 70091753) is (4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate is NC(=O)C1CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of (4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is KBWDKLMVCUXWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)7(15)16-13-3-1-5(2-4-13)6(12)14/h5H,1-4H2,(H2,12,14).
What are the key properties of (4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate?
(4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 240.18 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylpiperidin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 70091753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).