5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide

C21H25F3N4O3 — CID 158188574

IUPAC5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(CN2CCN(c3cncc(C(N)=O)c3)CC2)c(OC(F)(F)F)c1
InChIInChI=1S/C21H25F3N4O3/c1-14(2)30-18-4-3-15(19(10-18)31-21(22,23)24)13-27-5-7-28(8-6-27)17-9-16(20(25)29)11-26-12-17/h3-4,9-12,14H,5-8,13H2,1-2H3,(H2,25,29)
InChIKeyFZLMRIPTAKMYGT-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.19
Rot. Bonds7

About 5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide

5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 158188574) has the molecular formula C21H25F3N4O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is 5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID158188574
Molecular FormulaC21H25F3N4O3
Molecular Weight438.45 g/mol
Exact Mass438.19
IUPAC Name5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(CN2CCN(c3cncc(C(N)=O)c3)CC2)c(OC(F)(F)F)c1
InChIInChI=1S/C21H25F3N4O3/c1-14(2)30-18-4-3-15(19(10-18)31-21(22,23)24)13-27-5-7-28(8-6-27)17-9-16(20(25)29)11-26-12-17/h3-4,9-12,14H,5-8,13H2,1-2H3,(H2,25,29)
InChIKeyFZLMRIPTAKMYGT-UHFFFAOYSA-N
XLogP3.19
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

(5-carbamoyl-3-pyridinyl) 4-[[4-[(2R)-2-methylpyrrolidin-1-yl]-2-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylate
CID 135329803
5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230669
5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241366
5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223207
(5-carbamoyl-3-pyridinyl) 4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carboxylate
CID 135320955
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 109223246
[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl] carbamate
CID 174951749
[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate
CID 175535897
ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109230451
5-[[4-(2-hydroxypropanoyl)piperazin-1-yl]methyl]-N-[[4-methoxy-2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 118112613
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230971
1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 6456141

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide (CID 158188574) is 5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide is CC(C)Oc1ccc(CN2CCN(c3cncc(C(N)=O)c3)CC2)c(OC(F)(F)F)c1.
What is the InChIKey of 5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is FZLMRIPTAKMYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O3/c1-14(2)30-18-4-3-15(19(10-18)31-21(22,23)24)13-27-5-7-28(8-6-27)17-9-16(20(25)29)11-26-12-17/h3-4,9-12,14H,5-8,13H2,1-2H3,(H2,25,29).
What are the key properties of 5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-propan-2-yloxy-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 158188574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).