3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide

C14H23F3N4O2 — CID 71862960

IUPAC3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
SMILESO=C1CN(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CCN1
InChIInChI=1S/C14H23F3N4O2/c15-14(16,17)10-20-6-2-11(3-7-20)1-4-19-13(23)21-8-5-18-12(22)9-21/h11H,1-10H2,(H,18,22)(H,19,23)
InChIKeyDZCXXJXYDZIFAU-UHFFFAOYSA-N
MW336.36 g/mol
LogP0.79
Rot. Bonds4

About 3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide

3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide (PubChem CID 71862960) has the molecular formula C14H23F3N4O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
PubChem CID71862960
Molecular FormulaC14H23F3N4O2
Molecular Weight336.36 g/mol
Exact Mass336.18
IUPAC Name3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
SMILESO=C1CN(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CCN1
InChIInChI=1S/C14H23F3N4O2/c15-14(16,17)10-20-6-2-11(3-7-20)1-4-19-13(23)21-8-5-18-12(22)9-21/h11H,1-10H2,(H,18,22)(H,19,23)
InChIKeyDZCXXJXYDZIFAU-UHFFFAOYSA-N
XLogP0.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide?
The IUPAC name of 3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide (CID 71862960) is 3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide is O=C1CN(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CCN1.
What is the InChIKey of 3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide?
The InChIKey is DZCXXJXYDZIFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4O2/c15-14(16,17)10-20-6-2-11(3-7-20)1-4-19-13(23)21-8-5-18-12(22)9-21/h11H,1-10H2,(H,18,22)(H,19,23).
What are the key properties of 3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide?
3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 71862960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).