methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate

C15H19F3N4O3 — CID 95539511

IUPACmethyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2nccc(CCC(F)(F)F)n2)[C@@H](C)C1=O
InChIInChI=1S/C15H19F3N4O3/c1-10-13(24)21(9-12(23)25-2)7-8-22(10)14-19-6-4-11(20-14)3-5-15(16,17)18/h4,6,10H,3,5,7-9H2,1-2H3/t10-/m0/s1
InChIKeyYNFYHEBGWGCXRH-JTQLQIEISA-N
MW360.34 g/mol
LogP1.18
Rot. Bonds5

About methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate

methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate (PubChem CID 95539511) has the molecular formula C15H19F3N4O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate
PubChem CID95539511
Molecular FormulaC15H19F3N4O3
Molecular Weight360.34 g/mol
Exact Mass360.14
IUPAC Namemethyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2nccc(CCC(F)(F)F)n2)[C@@H](C)C1=O
InChIInChI=1S/C15H19F3N4O3/c1-10-13(24)21(9-12(23)25-2)7-8-22(10)14-19-6-4-11(20-14)3-5-15(16,17)18/h4,6,10H,3,5,7-9H2,1-2H3/t10-/m0/s1
InChIKeyYNFYHEBGWGCXRH-JTQLQIEISA-N
XLogP1.18
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate 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

(3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 95548875
methyl 2-[(3S)-4-(8-fluoroquinoline-2-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate
CID 95127053
4-hydroxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 56872070
(3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine
CID 56869576
methyl 2-[3-methyl-2-oxo-4-(2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]acetate
CID 50948903
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56865012
2-[(3S)-3-phenylpiperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 95553696
methyl 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetate
CID 64585502
methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate
CID 142712818
methyl (2R)-2-(4-hydroxyphenyl)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]acetate
CID 56877193
methyl 2-[(2R,3aS)-4-oxo-2-pyridin-4-yl-3,3a,6,7-tetrahydro-2H-[1,2]oxazolo[2,3-a]pyrazin-5-yl]acetate
CID 102383285
methyl 2-[3-methyl-4-[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]-2-oxopiperazin-1-yl]acetate
CID 172658094

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate (CID 95539511) is methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate is COC(=O)CN1CCN(c2nccc(CCC(F)(F)F)n2)[C@@H](C)C1=O.
What is the InChIKey of methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate?
The InChIKey is YNFYHEBGWGCXRH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19F3N4O3/c1-10-13(24)21(9-12(23)25-2)7-8-22(10)14-19-6-4-11(20-14)3-5-15(16,17)18/h4,6,10H,3,5,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate?
methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate has a molecular weight of 360.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-3-methyl-2-oxo-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-1-yl]acetate is sourced from PubChem (CID 95539511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).