methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate

C17H20F3N3O4 — CID 8741884

IUPACmethyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C17H20F3N3O4/c1-27-17(26)10-4-6-23(7-5-10)9-14(25)21-8-13(24)22-12-3-2-11(18)15(19)16(12)20/h2-3,10H,4-9H2,1H3,(H,21,25)(H,22,24)
InChIKeySNBLYWICFRNHGV-UHFFFAOYSA-N
MW387.36 g/mol
LogP1.04
Rot. Bonds6

About methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate

methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate (PubChem CID 8741884) has the molecular formula C17H20F3N3O4 and a molecular weight of 387.36 g/mol. Its IUPAC name is methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate
PubChem CID8741884
Molecular FormulaC17H20F3N3O4
Molecular Weight387.36 g/mol
Exact Mass387.14
IUPAC Namemethyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C17H20F3N3O4/c1-27-17(26)10-4-6-23(7-5-10)9-14(25)21-8-13(24)22-12-3-2-11(18)15(19)16(12)20/h2-3,10H,4-9H2,1H3,(H,21,25)(H,22,24)
InChIKeySNBLYWICFRNHGV-UHFFFAOYSA-N
XLogP1.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate with MolForge

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Related Compounds

methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidin-1-ium-4-carboxylate
CID 8741883
2-[[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 34932292
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 17390408
methyl 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742544
2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731416
methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754252
ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818400
trans-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 11915717
1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide
CID 17471154
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8770486
2-(4-benzylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2697464

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate (CID 8741884) is methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1.
What is the InChIKey of methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate?
The InChIKey is SNBLYWICFRNHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O4/c1-27-17(26)10-4-6-23(7-5-10)9-14(25)21-8-13(24)22-12-3-2-11(18)15(19)16(12)20/h2-3,10H,4-9H2,1H3,(H,21,25)(H,22,24).
What are the key properties of methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate?
methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate has a molecular weight of 387.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8741884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).