N-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide

C17H23F3N4O3 — CID 126943390

IUPACN-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C17H23F3N4O3/c18-17(19,20)14-9-15(25)24(11-21-14)10-12-1-5-23(6-2-12)16(26)22-13-3-7-27-8-4-13/h9,11-13H,1-8,10H2,(H,22,26)
InChIKeyAEDUYRKOYFMVLZ-UHFFFAOYSA-N
MW388.39 g/mol
LogP1.86
Rot. Bonds3

About N-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide

N-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 126943390) has the molecular formula C17H23F3N4O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide
PubChem CID126943390
Molecular FormulaC17H23F3N4O3
Molecular Weight388.39 g/mol
Exact Mass388.17
IUPAC NameN-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C17H23F3N4O3/c18-17(19,20)14-9-15(25)24(11-21-14)10-12-1-5-23(6-2-12)16(26)22-13-3-7-27-8-4-13/h9,11-13H,1-8,10H2,(H,22,26)
InChIKeyAEDUYRKOYFMVLZ-UHFFFAOYSA-N
XLogP1.86
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide (CID 126943390) is N-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide is O=C(NC1CCOCC1)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1.
What is the InChIKey of N-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is AEDUYRKOYFMVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O3/c18-17(19,20)14-9-15(25)24(11-21-14)10-12-1-5-23(6-2-12)16(26)22-13-3-7-27-8-4-13/h9,11-13H,1-8,10H2,(H,22,26).
What are the key properties of N-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide?
N-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126943390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).