4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid

C20H20F2N2O4 — CID 138680042

IUPAC4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1-c1ccc(F)cc1)OCC1CCN(C(=O)O)CC1
InChIInChI=1S/C20H20F2N2O4/c21-15-3-1-14(2-4-15)17-11-16(22)5-6-18(17)23-19(25)28-12-13-7-9-24(10-8-13)20(26)27/h1-6,11,13H,7-10,12H2,(H,23,25)(H,26,27)
InChIKeyDAYZBCBWPLAXPA-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.57
Rot. Bonds4

About 4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid

4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid (PubChem CID 138680042) has the molecular formula C20H20F2N2O4 and a molecular weight of 390.39 g/mol. Its IUPAC name is 4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid
PubChem CID138680042
Molecular FormulaC20H20F2N2O4
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC Name4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1-c1ccc(F)cc1)OCC1CCN(C(=O)O)CC1
InChIInChI=1S/C20H20F2N2O4/c21-15-3-1-14(2-4-15)17-11-16(22)5-6-18(17)23-19(25)28-12-13-7-9-24(10-8-13)20(26)27/h1-6,11,13H,7-10,12H2,(H,23,25)(H,26,27)
InChIKeyDAYZBCBWPLAXPA-UHFFFAOYSA-N
XLogP4.57
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid 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

tert-butyl 4-[[2-(4-chlorophenyl)-4-fluorophenyl]carbamoyloxymethyl]piperidine-1-carboxylate
CID 138710937
tert-butyl 4-[[4-fluoro-2-(4-methoxyphenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylate
CID 138710663
[(3R)-pyrrolidin-3-yl]methyl N-[2-(3,5-difluorophenyl)-4-fluorophenyl]carbamate
CID 121425435
tert-butyl 4-[[2-(2-chlorophenyl)-4-fluorophenyl]carbamoyloxymethyl]piperidine-1-carboxylate
CID 138710678
[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(4-tert-butylphenyl)-4-fluorophenyl]carbamate
CID 121425528
(3R)-N-[2-(4-chlorophenyl)-4-fluorophenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 129393354
[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate
CID 121425501
4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid
CID 142920577
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119316629
3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119771657
2-[[4-[[2-(4-fluorophenyl)-3-methylphenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid
CID 140562534
[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate
CID 121425540

Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid (CID 138680042) is 4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid is O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)OCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid?
The InChIKey is DAYZBCBWPLAXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4/c21-15-3-1-14(2-4-15)17-11-16(22)5-6-18(17)23-19(25)28-12-13-7-9-24(10-8-13)20(26)27/h1-6,11,13H,7-10,12H2,(H,23,25)(H,26,27).
What are the key properties of 4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid?
4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid has a molecular weight of 390.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-2-(4-fluorophenyl)phenyl]carbamoyloxymethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 138680042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).