N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C19H21F3N4O2 — CID 122176304

IUPACN-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C19H21F3N4O2/c1-2-28-16-6-4-15(5-7-16)24-18(27)26-11-9-25(10-12-26)17-8-3-14(13-23-17)19(20,21)22/h3-8,13H,2,9-12H2,1H3,(H,24,27)
InChIKeyXLQAPZXZSLYEHI-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.85
Rot. Bonds4

About N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 122176304) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID122176304
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C19H21F3N4O2/c1-2-28-16-6-4-15(5-7-16)24-18(27)26-11-9-25(10-12-26)17-8-3-14(13-23-17)19(20,21)22/h3-8,13H,2,9-12H2,1H3,(H,24,27)
InChIKeyXLQAPZXZSLYEHI-UHFFFAOYSA-N
XLogP3.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 155632607
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 23852476
N-(4-butoxyphenyl)-4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide
CID 121073259
N-(4-methylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 29107496
2-(4-chlorophenoxy)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78772499
N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 55351597
N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 46629897
2-(4-propan-2-ylphenoxy)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 27809887
N-(4-methylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbothioamide
CID 4842429
N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159063684
N-(4-ethoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335735

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 122176304) is N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is XLQAPZXZSLYEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-2-28-16-6-4-15(5-7-16)24-18(27)26-11-9-25(10-12-26)17-8-3-14(13-23-17)19(20,21)22/h3-8,13H,2,9-12H2,1H3,(H,24,27).
What are the key properties of N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 122176304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).