N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide

C18H24F3N3O2 — CID 146360827

IUPACN-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1)C1CCCO1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)16-5-1-3-14(23-16)13-6-9-24(10-7-13)11-8-22-17(25)15-4-2-12-26-15/h1,3,5,13,15H,2,4,6-12H2,(H,22,25)
InChIKeyVEDJDJXYSXQHNT-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.58
Rot. Bonds5

About N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide

N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide (PubChem CID 146360827) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide
PubChem CID146360827
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC NameN-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1)C1CCCO1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)16-5-1-3-14(23-16)13-6-9-24(10-7-13)11-8-22-17(25)15-4-2-12-26-15/h1,3,5,13,15H,2,4,6-12H2,(H,22,25)
InChIKeyVEDJDJXYSXQHNT-UHFFFAOYSA-N
XLogP2.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide (CID 146360827) is N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide is O=C(NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1)C1CCCO1.
What is the InChIKey of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is VEDJDJXYSXQHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c19-18(20,21)16-5-1-3-14(23-16)13-6-9-24(10-7-13)11-8-22-17(25)15-4-2-12-26-15/h1,3,5,13,15H,2,4,6-12H2,(H,22,25).
What are the key properties of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide?
N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 146360827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).