[4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid

C13H15FN2O4 — CID 134347497

IUPAC[4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid
SMILESCOc1ccc(C2CC(=O)NCC2NC(=O)O)c(F)c1
InChIInChI=1S/C13H15FN2O4/c1-20-7-2-3-8(10(14)4-7)9-5-12(17)15-6-11(9)16-13(18)19/h2-4,9,11,16H,5-6H2,1H3,(H,15,17)(H,18,19)
InChIKeyXVKCNIPSWBERDV-UHFFFAOYSA-N
MW282.27 g/mol
LogP1.07
Rot. Bonds3

About [4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid

[4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid (PubChem CID 134347497) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is [4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid
PubChem CID134347497
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name[4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid
SMILESCOc1ccc(C2CC(=O)NCC2NC(=O)O)c(F)c1
InChIInChI=1S/C13H15FN2O4/c1-20-7-2-3-8(10(14)4-7)9-5-12(17)15-6-11(9)16-13(18)19/h2-4,9,11,16H,5-6H2,1H3,(H,15,17)(H,18,19)
InChIKeyXVKCNIPSWBERDV-UHFFFAOYSA-N
XLogP1.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N*4*-Hydroxy-2-isobutyl-N*1*-[2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-3-methyl-succinamide
CID 44293416
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895807
(S)-1-((2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl)-N-methylpiperidine-2-carboxamide
CID 10150649
(R)-(4-Methoxy-phenyl)-(R)-piperidin-2-yl-acetic acid methyl ester
CID 10587632
4-(4-Methoxyphenyl)pyrrolidin-2-one
CID 4656224
(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 146020568
N-[3-(2,6-Dimethyl-piperidin-1-yl)-propyl]-2,2-bis-(4-methoxy-phenyl)-acetamide
CID 10093851
(S)-2-Acetylamino-3-[4-(4-piperidin-4-yl-butoxy)-phenyl]-propionic acid
CID 10473844
(8S,9R,12S)-9-Isobutyl-12-methylcarbamoyl-10-oxo-2-oxa-11-aza-bicyclo[12.2.2]octadeca-1(17),14(18),15-triene-8-carboxylic acid
CID 44306209
(2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one;2,2,2-trifluoroacetic acid
CID 49797057
(2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(4-methoxyphenyl)phenyl]butan-1-one;2,2,2-trifluoroacetic acid
CID 49797066
7-[(3S,6R,9S,12R)-3-[(2R)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]-N-hydroxyheptanamide
CID 56662148

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid?
The IUPAC name of [4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid (CID 134347497) is [4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid.
What is the SMILES notation for [4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid?
The canonical SMILES for [4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid is COc1ccc(C2CC(=O)NCC2NC(=O)O)c(F)c1.
What is the InChIKey of [4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid?
The InChIKey is XVKCNIPSWBERDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-20-7-2-3-8(10(14)4-7)9-5-12(17)15-6-11(9)16-13(18)19/h2-4,9,11,16H,5-6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of [4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid?
[4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid has a molecular weight of 282.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamic acid is sourced from PubChem (CID 134347497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).