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

C17H23F3N4O2 — CID 126943388

IUPACN-cyclopentyl-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)14-9-15(25)24(11-21-14)10-12-5-7-23(8-6-12)16(26)22-13-3-1-2-4-13/h9,11-13H,1-8,10H2,(H,22,26)
InChIKeyZZJVJINYRJREJH-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.63
Rot. Bonds3

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

N-cyclopentyl-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 126943388) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-cyclopentyl-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide
PubChem CID126943388
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC NameN-cyclopentyl-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)14-9-15(25)24(11-21-14)10-12-5-7-23(8-6-12)16(26)22-13-3-1-2-4-13/h9,11-13H,1-8,10H2,(H,22,26)
InChIKeyZZJVJINYRJREJH-UHFFFAOYSA-N
XLogP2.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide (CID 126943388) is N-cyclopentyl-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1.
What is the InChIKey of N-cyclopentyl-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is ZZJVJINYRJREJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c18-17(19,20)14-9-15(25)24(11-21-14)10-12-5-7-23(8-6-12)16(26)22-13-3-1-2-4-13/h9,11-13H,1-8,10H2,(H,22,26).
What are the key properties of N-cyclopentyl-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide?
N-cyclopentyl-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126943388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).