methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate

C14H15F3N2O3 — CID 110754252

IUPACmethyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C14H15F3N2O3/c1-22-14(21)19-6-4-8(5-7-19)13(20)18-10-3-2-9(15)11(16)12(10)17/h2-3,8H,4-7H2,1H3,(H,18,20)
InChIKeyVEKNKZDFRSKJTJ-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.52
Rot. Bonds2

About methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate

methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 110754252) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID110754252
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Namemethyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C14H15F3N2O3/c1-22-14(21)19-6-4-8(5-7-19)13(20)18-10-3-2-9(15)11(16)12(10)17/h2-3,8H,4-7H2,1H3,(H,18,20)
InChIKeyVEKNKZDFRSKJTJ-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide
CID 113008926
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 18195855
methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 113008293
1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109146735
tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 9209463
1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 9095289
methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754243
1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperidine-4-carboxamide
CID 17471154
ethyl 4-[[3-oxo-3-(2,3,4-trifluoroanilino)propanoyl]amino]piperidine-1-carboxylate
CID 108950288
tert-butyl (2R)-2-[(2,3,4-trifluorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 94920536
methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754248

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate (CID 110754252) is methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1.
What is the InChIKey of methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is VEKNKZDFRSKJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-22-14(21)19-6-4-8(5-7-19)13(20)18-10-3-2-9(15)11(16)12(10)17/h2-3,8H,4-7H2,1H3,(H,18,20).
What are the key properties of methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate?
methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 316.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 110754252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).