1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide

C18H19ClF3N3O3 — CID 78868947

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide
SMILESO=C(NCC(O)c1ccco1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C18H19ClF3N3O3/c19-13-8-12(18(20,21)22)9-23-16(13)25-5-3-11(4-6-25)17(27)24-10-14(26)15-2-1-7-28-15/h1-2,7-9,11,14,26H,3-6,10H2,(H,24,27)
InChIKeyKAFIDOWUFVAXRD-UHFFFAOYSA-N
MW417.82 g/mol
LogP3.41
Rot. Bonds5

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide (PubChem CID 78868947) has the molecular formula C18H19ClF3N3O3 and a molecular weight of 417.82 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide
PubChem CID78868947
Molecular FormulaC18H19ClF3N3O3
Molecular Weight417.82 g/mol
Exact Mass417.11
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide
SMILESO=C(NCC(O)c1ccco1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C18H19ClF3N3O3/c19-13-8-12(18(20,21)22)9-23-16(13)25-5-3-11(4-6-25)17(27)24-10-14(26)15-2-1-7-28-15/h1-2,7-9,11,14,26H,3-6,10H2,(H,24,27)
InChIKeyKAFIDOWUFVAXRD-UHFFFAOYSA-N
XLogP3.41
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.82
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide (CID 78868947) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide is O=C(NCC(O)c1ccco1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide?
The InChIKey is KAFIDOWUFVAXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O3/c19-13-8-12(18(20,21)22)9-23-16(13)25-5-3-11(4-6-25)17(27)24-10-14(26)15-2-1-7-28-15/h1-2,7-9,11,14,26H,3-6,10H2,(H,24,27).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide has a molecular weight of 417.82 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide is sourced from PubChem (CID 78868947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).