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

C20H23F3N4O — CID 10023408

IUPACN-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C20H23F3N4O/c1-14(2)15-5-7-16(8-6-15)25-19(28)27-12-10-26(11-13-27)18-17(20(21,22)23)4-3-9-24-18/h3-9,14H,10-13H2,1-2H3,(H,25,28)
InChIKeyLBNFBCCBSPSGGF-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.58
Rot. Bonds3

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

N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 10023408) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID10023408
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC NameN-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C20H23F3N4O/c1-14(2)15-5-7-16(8-6-15)25-19(28)27-12-10-26(11-13-27)18-17(20(21,22)23)4-3-9-24-18/h3-9,14H,10-13H2,1-2H3,(H,25,28)
InChIKeyLBNFBCCBSPSGGF-UHFFFAOYSA-N
XLogP4.58
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 10023408) is N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is LBNFBCCBSPSGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-14(2)15-5-7-16(8-6-15)25-19(28)27-12-10-26(11-13-27)18-17(20(21,22)23)4-3-9-24-18/h3-9,14H,10-13H2,1-2H3,(H,25,28).
What are the key properties of N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 10023408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).