N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C15H21F3N4O — CID 2741632

IUPACN-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O/c1-14(2,3)20-13(23)22-9-7-21(8-10-22)12-11(15(16,17)18)5-4-6-19-12/h4-6H,7-10H2,1-3H3,(H,20,23)
InChIKeyBQQXRPSVROFRFL-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.73
Rot. Bonds1

About N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 2741632) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID2741632
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC NameN-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N4O/c1-14(2,3)20-13(23)22-9-7-21(8-10-22)12-11(15(16,17)18)5-4-6-19-12/h4-6H,7-10H2,1-3H3,(H,20,23)
InChIKeyBQQXRPSVROFRFL-UHFFFAOYSA-N
XLogP2.73
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 2741632) is N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is BQQXRPSVROFRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-14(2,3)20-13(23)22-9-7-21(8-10-22)12-11(15(16,17)18)5-4-6-19-12/h4-6H,7-10H2,1-3H3,(H,20,23).
What are the key properties of N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 2741632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).