N-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C20H22F3N3O3 — CID 1296192

IUPACN-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC
InChIInChI=1S/C20H22F3N3O3/c1-28-17-7-6-15(13-18(17)29-2)24-19(27)26-10-8-25(9-11-26)16-5-3-4-14(12-16)20(21,22)23/h3-7,12-13H,8-11H2,1-2H3,(H,24,27)
InChIKeySGHIEBHVVYQHKA-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.08
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 1296192) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID1296192
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC
InChIInChI=1S/C20H22F3N3O3/c1-28-17-7-6-15(13-18(17)29-2)24-19(27)26-10-8-25(9-11-26)16-5-3-4-14(12-16)20(21,22)23/h3-7,12-13H,8-11H2,1-2H3,(H,24,27)
InChIKeySGHIEBHVVYQHKA-UHFFFAOYSA-N
XLogP4.08
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 1296192) is N-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is SGHIEBHVVYQHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-28-17-7-6-15(13-18(17)29-2)24-19(27)26-10-8-25(9-11-26)16-5-3-4-14(12-16)20(21,22)23/h3-7,12-13H,8-11H2,1-2H3,(H,24,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 1296192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).