N-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C17H24F3N5O5 — CID 166377397

IUPACN-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC1CN(C(=O)CCc2n[nH]c(=O)[nH]c2=O)CCC1CNC(=O)C(C)(O)C(F)(F)F
InChIInChI=1S/C17H24F3N5O5/c1-9-8-25(12(26)4-3-11-13(27)22-15(29)24-23-11)6-5-10(9)7-21-14(28)16(2,30)17(18,19)20/h9-10,30H,3-8H2,1-2H3,(H,21,28)(H2,22,24,27,29)
InChIKeySVVOAXZJSNEPPE-UHFFFAOYSA-N
MW435.40 g/mol
LogP-0.70
Rot. Bonds6

About N-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 166377397) has the molecular formula C17H24F3N5O5 and a molecular weight of 435.40 g/mol. Its IUPAC name is N-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID166377397
Molecular FormulaC17H24F3N5O5
Molecular Weight435.40 g/mol
Exact Mass435.17
IUPAC NameN-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC1CN(C(=O)CCc2n[nH]c(=O)[nH]c2=O)CCC1CNC(=O)C(C)(O)C(F)(F)F
InChIInChI=1S/C17H24F3N5O5/c1-9-8-25(12(26)4-3-11-13(27)22-15(29)24-23-11)6-5-10(9)7-21-14(28)16(2,30)17(18,19)20/h9-10,30H,3-8H2,1-2H3,(H,21,28)(H2,22,24,27,29)
InChIKeySVVOAXZJSNEPPE-UHFFFAOYSA-N
XLogP-0.70
TPSA148.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 17475089
5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 103901104
N-[[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)propanoyl]piperidin-4-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 166394490
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one
CID 91833490
3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 143704226
1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one
CID 165476111
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S,4S)-3-methyl-4-[1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclopropyl]piperidin-1-yl]propan-1-one
CID 131964090
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474428
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]propan-1-one
CID 146103818
(3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118779147
1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
CID 81487357
1-(4-bromo-3-methylpiperidin-1-yl)-4,4,4-trifluorobutan-1-one
CID 114683535

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 166377397) is N-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC1CN(C(=O)CCc2n[nH]c(=O)[nH]c2=O)CCC1CNC(=O)C(C)(O)C(F)(F)F.
What is the InChIKey of N-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is SVVOAXZJSNEPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N5O5/c1-9-8-25(12(26)4-3-11-13(27)22-15(29)24-23-11)6-5-10(9)7-21-14(28)16(2,30)17(18,19)20/h9-10,30H,3-8H2,1-2H3,(H,21,28)(H2,22,24,27,29).
What are the key properties of N-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 435.40 g/mol, XLogP of -0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoyl]-3-methylpiperidin-4-yl]methyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 166377397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).