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

C18H19F3N4O2 — CID 2741705

IUPACN-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C18H19F3N4O2/c1-27-14-5-2-4-13(12-14)23-17(26)25-10-8-24(9-11-25)16-15(18(19,20)21)6-3-7-22-16/h2-7,12H,8-11H2,1H3,(H,23,26)
InChIKeyPRNTZRIPEIAFQU-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.46
Rot. Bonds3

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

N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 2741705) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID2741705
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C18H19F3N4O2/c1-27-14-5-2-4-13(12-14)23-17(26)25-10-8-24(9-11-25)16-15(18(19,20)21)6-3-7-22-16/h2-7,12H,8-11H2,1H3,(H,23,26)
InChIKeyPRNTZRIPEIAFQU-UHFFFAOYSA-N
XLogP3.46
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 2741705) is N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is PRNTZRIPEIAFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-27-14-5-2-4-13(12-14)23-17(26)25-10-8-24(9-11-25)16-15(18(19,20)21)6-3-7-22-16/h2-7,12H,8-11H2,1H3,(H,23,26).
What are the key properties of N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 2741705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).