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

C18H18F3N3O2 — CID 4129039

IUPAC4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)13-2-1-3-14(12-13)22-17(26)24-10-8-23(9-11-24)15-4-6-16(25)7-5-15/h1-7,12,25H,8-11H2,(H,22,26)
InChIKeyMTALHPLLYPWPMR-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.77
Rot. Bonds2

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

4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 4129039) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID4129039
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)13-2-1-3-14(12-13)22-17(26)24-10-8-23(9-11-24)15-4-6-16(25)7-5-15/h1-7,12,25H,8-11H2,(H,22,26)
InChIKeyMTALHPLLYPWPMR-UHFFFAOYSA-N
XLogP3.77
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2210407
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 135144227
N-(3,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114108
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
methyl 3-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 3820124
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 53189551
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 4129039) is 4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is MTALHPLLYPWPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)13-2-1-3-14(12-13)22-17(26)24-10-8-23(9-11-24)15-4-6-16(25)7-5-15/h1-7,12,25H,8-11H2,(H,22,26).
What are the key properties of 4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 4129039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).