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

C14H23F3N2O2 — CID 96527884

IUPAC(3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide
SMILESO=C(NCCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCOC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-19-6-2-11(3-7-19)1-5-18-13(20)12-4-8-21-9-12/h11-12H,1-10H2,(H,18,20)/t12-/m1/s1
InChIKeyZCLSEVNWWQDIQL-GFCCVEGCSA-N
MW308.34 g/mol
LogP1.80
Rot. Bonds5

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

(3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide (PubChem CID 96527884) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide
PubChem CID96527884
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name(3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide
SMILESO=C(NCCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCOC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)10-19-6-2-11(3-7-19)1-5-18-13(20)12-4-8-21-9-12/h11-12H,1-10H2,(H,18,20)/t12-/m1/s1
InChIKeyZCLSEVNWWQDIQL-GFCCVEGCSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide (CID 96527884) is (3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide is O=C(NCCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide?
The InChIKey is ZCLSEVNWWQDIQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)10-19-6-2-11(3-7-19)1-5-18-13(20)12-4-8-21-9-12/h11-12H,1-10H2,(H,18,20)/t12-/m1/s1.
What are the key properties of (3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide?
(3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 96527884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).