1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C22H26F3N5O2 — CID 53170543

IUPAC1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C22H26F3N5O2/c23-22(24,25)18-3-1-2-16(12-18)14-26-21(31)17-4-6-29(7-5-17)19-13-20(28-15-27-19)30-8-10-32-11-9-30/h1-3,12-13,15,17H,4-11,14H2,(H,26,31)
InChIKeyFUJPVKILAYWDHH-UHFFFAOYSA-N
MW449.48 g/mol
LogP2.86
Rot. Bonds5

About 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 53170543) has the molecular formula C22H26F3N5O2 and a molecular weight of 449.48 g/mol. Its IUPAC name is 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID53170543
Molecular FormulaC22H26F3N5O2
Molecular Weight449.48 g/mol
Exact Mass449.20
IUPAC Name1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C22H26F3N5O2/c23-22(24,25)18-3-1-2-16(12-18)14-26-21(31)17-4-6-29(7-5-17)19-13-20(28-15-27-19)30-8-10-32-11-9-30/h1-3,12-13,15,17H,4-11,14H2,(H,26,31)
InChIKeyFUJPVKILAYWDHH-UHFFFAOYSA-N
XLogP2.86
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 53170543) is 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(c2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is FUJPVKILAYWDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2/c23-22(24,25)18-3-1-2-16(12-18)14-26-21(31)17-4-6-29(7-5-17)19-13-20(28-15-27-19)30-8-10-32-11-9-30/h1-3,12-13,15,17H,4-11,14H2,(H,26,31).
What are the key properties of 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 449.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53170543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).