N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide

C15H22F3N5O — CID 2796053

IUPACN-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(Nc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H22F3N5O/c1-14(2,3)22-13(24)23-8-5-10(6-9-23)20-12-19-7-4-11(21-12)15(16,17)18/h4,7,10H,5-6,8-9H2,1-3H3,(H,22,24)(H,19,20,21)
InChIKeyUEMIRUAKTSZNGU-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.88
Rot. Bonds2

About N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide

N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide (PubChem CID 2796053) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide
PubChem CID2796053
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC NameN-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(Nc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H22F3N5O/c1-14(2,3)22-13(24)23-8-5-10(6-9-23)20-12-19-7-4-11(21-12)15(16,17)18/h4,7,10H,5-6,8-9H2,1-3H3,(H,22,24)(H,19,20,21)
InChIKeyUEMIRUAKTSZNGU-UHFFFAOYSA-N
XLogP2.88
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide (CID 2796053) is N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(Nc2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide?
The InChIKey is UEMIRUAKTSZNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O/c1-14(2,3)22-13(24)23-8-5-10(6-9-23)20-12-19-7-4-11(21-12)15(16,17)18/h4,7,10H,5-6,8-9H2,1-3H3,(H,22,24)(H,19,20,21).
What are the key properties of N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide?
N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 2796053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).