4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide

C20H22F3N3O3 — CID 18285766

IUPAC4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H22F3N3O3/c1-28-17-8-4-16(5-9-17)25-10-12-26(13-11-25)19(27)24-14-15-2-6-18(7-3-15)29-20(21,22)23/h2-9H,10-14H2,1H3,(H,24,27)
InChIKeyKITFQMZKFWMRPI-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.63
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide

4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 18285766) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
PubChem CID18285766
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Name4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H22F3N3O3/c1-28-17-8-4-16(5-9-17)25-10-12-26(13-11-25)19(27)24-14-15-2-6-18(7-3-15)29-20(21,22)23/h2-9H,10-14H2,1H3,(H,24,27)
InChIKeyKITFQMZKFWMRPI-UHFFFAOYSA-N
XLogP3.63
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108225
4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 48515379
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
methyl 4-[4-[(4-chlorophenyl)methylcarbamoyl]piperazin-1-yl]benzoate
CID 113107978
methyl 4-[[[C-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzoate
CID 111242083
4-(4-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3742709
N-[2-(4-chlorophenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989697
4-(4-methoxyphenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 55589473
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide (CID 18285766) is 4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NCc3ccc(OC(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is KITFQMZKFWMRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-28-17-8-4-16(5-9-17)25-10-12-26(13-11-25)19(27)24-14-15-2-6-18(7-3-15)29-20(21,22)23/h2-9H,10-14H2,1H3,(H,24,27).
What are the key properties of 4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide?
4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 18285766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).