N-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide

C34H32F3N3O5 — CID 59004390

IUPACN-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(Oc3cccc(NC(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)c3)CC2)cc1
InChIInChI=1S/C34H32F3N3O5/c1-22-5-3-8-30(31(22)23-9-13-28(14-10-23)45-34(35,36)37)32(41)38-25-6-4-7-29(21-25)44-27-17-19-40(20-18-27)33(42)39-24-11-15-26(43-2)16-12-24/h3-16,21,27H,17-20H2,1-2H3,(H,38,41)(H,39,42)
InChIKeyKFOGFZVMAQWPHW-UHFFFAOYSA-N
MW619.64 g/mol
LogP7.90
Rot. Bonds8

About N-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide

N-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide (PubChem CID 59004390) has the molecular formula C34H32F3N3O5 and a molecular weight of 619.64 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide
PubChem CID59004390
Molecular FormulaC34H32F3N3O5
Molecular Weight619.64 g/mol
Exact Mass619.23
IUPAC NameN-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(Oc3cccc(NC(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)c3)CC2)cc1
InChIInChI=1S/C34H32F3N3O5/c1-22-5-3-8-30(31(22)23-9-13-28(14-10-23)45-34(35,36)37)32(41)38-25-6-4-7-29(21-25)44-27-17-19-40(20-18-27)33(42)39-24-11-15-26(43-2)16-12-24/h3-16,21,27H,17-20H2,1-2H3,(H,38,41)(H,39,42)
InChIKeyKFOGFZVMAQWPHW-UHFFFAOYSA-N
XLogP7.90
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.64
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide (CID 59004390) is N-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(Oc3cccc(NC(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)c3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide?
The InChIKey is KFOGFZVMAQWPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3N3O5/c1-22-5-3-8-30(31(22)23-9-13-28(14-10-23)45-34(35,36)37)32(41)38-25-6-4-7-29(21-25)44-27-17-19-40(20-18-27)33(42)39-24-11-15-26(43-2)16-12-24/h3-16,21,27H,17-20H2,1-2H3,(H,38,41)(H,39,42).
What are the key properties of N-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide?
N-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide has a molecular weight of 619.64 g/mol, XLogP of 7.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide is sourced from PubChem (CID 59004390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).