4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C18H17ClF3N3O2 — CID 71798886

IUPAC4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C18H17ClF3N3O2/c19-15-5-2-8-23-16(15)27-14-6-9-25(10-7-14)17(26)24-13-4-1-3-12(11-13)18(20,21)22/h1-5,8,11,14H,6-7,9-10H2,(H,24,26)
InChIKeyNMKBSPHGBHEOMT-UHFFFAOYSA-N
MW399.80 g/mol
LogP4.83
Rot. Bonds3

About 4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 71798886) has the molecular formula C18H17ClF3N3O2 and a molecular weight of 399.80 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID71798886
Molecular FormulaC18H17ClF3N3O2
Molecular Weight399.80 g/mol
Exact Mass399.10
IUPAC Name4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C18H17ClF3N3O2/c19-15-5-2-8-23-16(15)27-14-6-9-25(10-7-14)17(26)24-13-4-1-3-12(11-13)18(20,21)22/h1-5,8,11,14H,6-7,9-10H2,(H,24,26)
InChIKeyNMKBSPHGBHEOMT-UHFFFAOYSA-N
XLogP4.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.80
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 71798886) is 4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is NMKBSPHGBHEOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O2/c19-15-5-2-8-23-16(15)27-14-6-9-25(10-7-14)17(26)24-13-4-1-3-12(11-13)18(20,21)22/h1-5,8,11,14H,6-7,9-10H2,(H,24,26).
What are the key properties of 4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 399.80 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 71798886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).