4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C18H24F3N3O2 — CID 20907518

IUPAC4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)15-2-1-3-16(12-15)22-17(25)24-6-4-14(5-7-24)13-23-8-10-26-11-9-23/h1-3,12,14H,4-11,13H2,(H,22,25)
InChIKeyCAMNNMDLAZIZTR-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.28
Rot. Bonds3

About 4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 20907518) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID20907518
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)15-2-1-3-16(12-15)22-17(25)24-6-4-14(5-7-24)13-23-8-10-26-11-9-23/h1-3,12,14H,4-11,13H2,(H,22,25)
InChIKeyCAMNNMDLAZIZTR-UHFFFAOYSA-N
XLogP3.28
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 20907518) is 4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is CAMNNMDLAZIZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c19-18(20,21)15-2-1-3-16(12-15)22-17(25)24-6-4-14(5-7-24)13-23-8-10-26-11-9-23/h1-3,12,14H,4-11,13H2,(H,22,25).
What are the key properties of 4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 20907518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).