2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C21H26F3N5O4 — CID 2090233

IUPAC2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1=O
InChIInChI=1S/C21H26F3N5O4/c1-2-10-28-18(25)17(27-11-4-3-5-12-27)19(31)29(20(28)32)13-16(30)26-14-6-8-15(9-7-14)33-21(22,23)24/h6-9H,2-5,10-13,25H2,1H3,(H,26,30)
InChIKeySWICUOABPSGJRJ-UHFFFAOYSA-N
MW469.46 g/mol
LogP2.53
Rot. Bonds7

About 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 2090233) has the molecular formula C21H26F3N5O4 and a molecular weight of 469.46 g/mol. Its IUPAC name is 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID2090233
Molecular FormulaC21H26F3N5O4
Molecular Weight469.46 g/mol
Exact Mass469.19
IUPAC Name2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1=O
InChIInChI=1S/C21H26F3N5O4/c1-2-10-28-18(25)17(27-11-4-3-5-12-27)19(31)29(20(28)32)13-16(30)26-14-6-8-15(9-7-14)33-21(22,23)24/h6-9H,2-5,10-13,25H2,1H3,(H,26,30)
InChIKeySWICUOABPSGJRJ-UHFFFAOYSA-N
XLogP2.53
TPSA111.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Urapidil
CID 5639
1-Trifluoromethoxyphenyl-3-(1-propionylpiperidine-4-yl)urea
CID 44142782
5-Methylurapidil
CID 5640
Urapidil hydrochloride
CID 167980
EC-5026
CID 91933845
1-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
3-(1-Acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]urea
CID 25093352
5,6-dimethyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
CID 44298611
1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 45888834
1-(1-((4-Acetylpiperazin-1-yl)acetyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780366
1-(1-(Trifluoroacetyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780367
8-(2-ethylbutanoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 71566538

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 2090233) is 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1=O.
What is the InChIKey of 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is SWICUOABPSGJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O4/c1-2-10-28-18(25)17(27-11-4-3-5-12-27)19(31)29(20(28)32)13-16(30)26-14-6-8-15(9-7-14)33-21(22,23)24/h6-9H,2-5,10-13,25H2,1H3,(H,26,30).
What are the key properties of 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 469.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 2090233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).