2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C20H23F3N4O2 — CID 91904033

IUPAC2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(N2CCC(C)CC2)n1
InChIInChI=1S/C20H23F3N4O2/c1-13-6-8-26(9-7-13)19-24-14(2)10-18(29)27(19)12-17(28)25-16-5-3-4-15(11-16)20(21,22)23/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,25,28)
InChIKeySUKYUXQTPOSNGB-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.45
Rot. Bonds4

About 2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 91904033) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID91904033
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(N2CCC(C)CC2)n1
InChIInChI=1S/C20H23F3N4O2/c1-13-6-8-26(9-7-13)19-24-14(2)10-18(29)27(19)12-17(28)25-16-5-3-4-15(11-16)20(21,22)23/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,25,28)
InChIKeySUKYUXQTPOSNGB-UHFFFAOYSA-N
XLogP3.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide 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

3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
CID 108952355
2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91903937
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108992236
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201688
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54830576
2-[4-[(3R)-3-methylpiperidin-1-yl]-1-oxophthalazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51661363
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 122278445
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501324
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
2-(2-cyclopropylbenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17028781
N-(2-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201687
6-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109095520

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 91904033) is 2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(N2CCC(C)CC2)n1.
What is the InChIKey of 2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SUKYUXQTPOSNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-13-6-8-26(9-7-13)19-24-14(2)10-18(29)27(19)12-17(28)25-16-5-3-4-15(11-16)20(21,22)23/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 408.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91904033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).