N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide

C13H17F3N4O — CID 66328891

IUPACN,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide
SMILESCN(C)C(=O)C1CNCCN1c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H17F3N4O/c1-19(2)12(21)10-8-17-5-6-20(10)11-7-9(3-4-18-11)13(14,15)16/h3-4,7,10,17H,5-6,8H2,1-2H3
InChIKeyKHOQCNDHZYZKCP-UHFFFAOYSA-N
MW302.30 g/mol
LogP0.97
Rot. Bonds2

About N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide

N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide (PubChem CID 66328891) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide
PubChem CID66328891
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide
SMILESCN(C)C(=O)C1CNCCN1c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H17F3N4O/c1-19(2)12(21)10-8-17-5-6-20(10)11-7-9(3-4-18-11)13(14,15)16/h3-4,7,10,17H,5-6,8H2,1-2H3
InChIKeyKHOQCNDHZYZKCP-UHFFFAOYSA-N
XLogP0.97
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide (CID 66328891) is N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide is CN(C)C(=O)C1CNCCN1c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide?
The InChIKey is KHOQCNDHZYZKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-19(2)12(21)10-8-17-5-6-20(10)11-7-9(3-4-18-11)13(14,15)16/h3-4,7,10,17H,5-6,8H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide?
N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxamide is sourced from PubChem (CID 66328891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).