N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide

C14H23F3N2O2 — CID 71863296

IUPACN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCC1CCN(CC(F)(F)F)CC1)C1CCCO1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-19-7-4-11(5-8-19)3-6-18-13(20)12-2-1-9-21-12/h11-12H,1-10H2,(H,18,20)
InChIKeyYTWISKLFHSRSIK-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.95
Rot. Bonds5

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

N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide (PubChem CID 71863296) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide
PubChem CID71863296
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCC1CCN(CC(F)(F)F)CC1)C1CCCO1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-19-7-4-11(5-8-19)3-6-18-13(20)12-2-1-9-21-12/h11-12H,1-10H2,(H,18,20)
InChIKeyYTWISKLFHSRSIK-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide (CID 71863296) is N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide is O=C(NCCC1CCN(CC(F)(F)F)CC1)C1CCCO1.
What is the InChIKey of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is YTWISKLFHSRSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)10-19-7-4-11(5-8-19)3-6-18-13(20)12-2-1-9-21-12/h11-12H,1-10H2,(H,18,20).
What are the key properties of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide?
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 71863296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).