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

C19H20F3N3O2 — CID 1070816

IUPACN-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H20F3N3O2/c1-27-17-8-3-2-7-16(17)23-18(26)25-11-9-24(10-12-25)15-6-4-5-14(13-15)19(20,21)22/h2-8,13H,9-12H2,1H3,(H,23,26)
InChIKeyONXPULUFNWVSKZ-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.07
Rot. Bonds3

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

N-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 1070816) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID1070816
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H20F3N3O2/c1-27-17-8-3-2-7-16(17)23-18(26)25-11-9-24(10-12-25)15-6-4-5-14(13-15)19(20,21)22/h2-8,13H,9-12H2,1H3,(H,23,26)
InChIKeyONXPULUFNWVSKZ-UHFFFAOYSA-N
XLogP4.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

LR 511
CID 68696
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 9819571
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
1-(2-(dimethylamino)-4-(trifluoromethyl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-8-yl)urea
CID 53476470
1-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-1H-benzo[d]imidazol-2(3H)-one
CID 23369416
Benzimidazolone scaffold, 15f
CID 23369421
1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-1H-benzo[d]imidazol-2(3H)-one
CID 23369450
N-[(4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9155553
1-[4-(4-Fluoro-phenyl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 10593421
2-Methoxyfentanyl
CID 12741853

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 1070816) is N-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is ONXPULUFNWVSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-27-17-8-3-2-7-16(17)23-18(26)25-11-9-24(10-12-25)15-6-4-5-14(13-15)19(20,21)22/h2-8,13H,9-12H2,1H3,(H,23,26).
What are the key properties of N-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 1070816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).