methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate

C15H16F4N2O3 — CID 146337052

IUPACmethyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C15H16F4N2O3/c1-24-14(23)21-6-2-3-9(8-21)13(22)20-10-4-5-11(12(16)7-10)15(17,18)19/h4-5,7,9H,2-3,6,8H2,1H3,(H,20,22)
InChIKeySMBRLYBNURWIJR-UHFFFAOYSA-N
MW348.30 g/mol
LogP3.26
Rot. Bonds2

About methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate

methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 146337052) has the molecular formula C15H16F4N2O3 and a molecular weight of 348.30 g/mol. Its IUPAC name is methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID146337052
Molecular FormulaC15H16F4N2O3
Molecular Weight348.30 g/mol
Exact Mass348.11
IUPAC Namemethyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C15H16F4N2O3/c1-24-14(23)21-6-2-3-9(8-21)13(22)20-10-4-5-11(12(16)7-10)15(17,18)19/h4-5,7,9H,2-3,6,8H2,1H3,(H,20,22)
InChIKeySMBRLYBNURWIJR-UHFFFAOYSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-ethylsulfonyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(3S)-1-ethylsulfonylpiperidine-3-carboxylic acid
CID 167672683
tert-butyl 3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 122513398
tert-butyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 84555141
ethyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate;nickel
CID 153400255
1-(4-deuterio-2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 155753916
methyl (3S)-3-[[4-(ethoxycarbonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95593872
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
chloro acetate;(3S)-N-(4-chloro-3-fluorophenyl)piperidine-3-carboxamide;methane;methyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 167622055
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-methylpiperidine-1,3-dicarboxamide
CID 166027295
methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72901973
4-(cyclopropanecarbonyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 74246966

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate (CID 146337052) is methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate is COC(=O)N1CCCC(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)C1.
What is the InChIKey of methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is SMBRLYBNURWIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2O3/c1-24-14(23)21-6-2-3-9(8-21)13(22)20-10-4-5-11(12(16)7-10)15(17,18)19/h4-5,7,9H,2-3,6,8H2,1H3,(H,20,22).
What are the key properties of methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate?
methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 348.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 146337052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).