4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide

C18H19F3N4O3 — CID 46871778

IUPAC4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H19F3N4O3/c19-18(20,21)28-15-5-2-1-4-13(15)12-24-17(26)25-10-6-14(7-11-25)27-16-22-8-3-9-23-16/h1-5,8-9,14H,6-7,10-12H2,(H,24,26)
InChIKeyPMWQIIOHOWIEAH-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.13
Rot. Bonds5

About 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide

4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 46871778) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
PubChem CID46871778
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H19F3N4O3/c19-18(20,21)28-15-5-2-1-4-13(15)12-24-17(26)25-10-6-14(7-11-25)27-16-22-8-3-9-23-16/h1-5,8-9,14H,6-7,10-12H2,(H,24,26)
InChIKeyPMWQIIOHOWIEAH-UHFFFAOYSA-N
XLogP3.13
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide (CID 46871778) is 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is PMWQIIOHOWIEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c19-18(20,21)28-15-5-2-1-4-13(15)12-24-17(26)25-10-6-14(7-11-25)27-16-22-8-3-9-23-16/h1-5,8-9,14H,6-7,10-12H2,(H,24,26).
What are the key properties of 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46871778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).