piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate

C19H18F4N2O2 — CID 138711334

IUPACpiperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate
SMILESO=C(Nc1ccc(F)cc1-c1cc(F)c(F)c(F)c1)OCC1CCNCC1
InChIInChI=1S/C19H18F4N2O2/c20-13-1-2-17(25-19(26)27-10-11-3-5-24-6-4-11)14(9-13)12-7-15(21)18(23)16(22)8-12/h1-2,7-9,11,24H,3-6,10H2,(H,25,26)
InChIKeyPXFVYJJBXFKROG-UHFFFAOYSA-N
MW382.36 g/mol
LogP4.46
Rot. Bonds4

About piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate

piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate (PubChem CID 138711334) has the molecular formula C19H18F4N2O2 and a molecular weight of 382.36 g/mol. Its IUPAC name is piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate
PubChem CID138711334
Molecular FormulaC19H18F4N2O2
Molecular Weight382.36 g/mol
Exact Mass382.13
IUPAC Namepiperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate
SMILESO=C(Nc1ccc(F)cc1-c1cc(F)c(F)c(F)c1)OCC1CCNCC1
InChIInChI=1S/C19H18F4N2O2/c20-13-1-2-17(25-19(26)27-10-11-3-5-24-6-4-11)14(9-13)12-7-15(21)18(23)16(22)8-12/h1-2,7-9,11,24H,3-6,10H2,(H,25,26)
InChIKeyPXFVYJJBXFKROG-UHFFFAOYSA-N
XLogP4.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(9-Aminononyl)piperidin-4-yl biphenyl-2-ylcarbamate
CID 53323772
[(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate;2,2,2-trifluoroacetate
CID 138680031
piperidin-4-ylmethyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate
CID 138710679
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate
CID 138710768
piperidin-4-ylmethyl N-[4-fluoro-2-(4-fluorophenyl)phenyl]carbamate
CID 138711318
piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate
CID 138711325
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate
CID 155157200
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylphenyl)carbamate
CID 10567858
1-(7-Aminoheptyl)piperidin-4-yl biphenyl-2-ylcarbamate
CID 53317170
M3R antagonist OFH243
CID 156011965
piperidin-4-ylmethyl N-(2-phenylphenyl)carbamate
CID 156013794
piperidin-4-ylmethyl N-[2-(3,4,5-trifluorophenyl)phenyl]carbamate
CID 156015287

Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate?
The IUPAC name of piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate (CID 138711334) is piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate.
What is the SMILES notation for piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate?
The canonical SMILES for piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate is O=C(Nc1ccc(F)cc1-c1cc(F)c(F)c(F)c1)OCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate?
The InChIKey is PXFVYJJBXFKROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O2/c20-13-1-2-17(25-19(26)27-10-11-3-5-24-6-4-11)14(9-13)12-7-15(21)18(23)16(22)8-12/h1-2,7-9,11,24H,3-6,10H2,(H,25,26).
What are the key properties of piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate?
piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate has a molecular weight of 382.36 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate is sourced from PubChem (CID 138711334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).