4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide

C20H23FN2O3 — CID 46214870

IUPAC4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC(c2cc(F)c(O)cc2O)CC1)c1ccccc1
InChIInChI=1S/C20H23FN2O3/c1-13(14-5-3-2-4-6-14)22-20(26)23-9-7-15(8-10-23)16-11-17(21)19(25)12-18(16)24/h2-6,11-13,15,24-25H,7-10H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyWKGWDYPQUCRFDX-ZDUSSCGKSA-N
MW358.41 g/mol
LogP3.89
Rot. Bonds3

About 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide

4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide (PubChem CID 46214870) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
PubChem CID46214870
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC(c2cc(F)c(O)cc2O)CC1)c1ccccc1
InChIInChI=1S/C20H23FN2O3/c1-13(14-5-3-2-4-6-14)22-20(26)23-9-7-15(8-10-23)16-11-17(21)19(25)12-18(16)24/h2-6,11-13,15,24-25H,7-10H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyWKGWDYPQUCRFDX-ZDUSSCGKSA-N
XLogP3.89
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide 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

4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 46215547
N-(2-ethylbutyl)-4-(5-fluoro-2,4-dihydroxyphenyl)piperidine-1-carboxamide
CID 46241088
(2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one
CID 46215710
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 122570435
1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 51275131
1-[1-(4-fluoro-3-methylphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122005611
N-[(1S)-1-phenylethyl]imidazolidine-1-carboxamide
CID 70513646
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide (CID 46214870) is 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide is C[C@H](NC(=O)N1CCC(c2cc(F)c(O)cc2O)CC1)c1ccccc1.
What is the InChIKey of 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide?
The InChIKey is WKGWDYPQUCRFDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-13(14-5-3-2-4-6-14)22-20(26)23-9-7-15(8-10-23)16-11-17(21)19(25)12-18(16)24/h2-6,11-13,15,24-25H,7-10H2,1H3,(H,22,26)/t13-/m0/s1.
What are the key properties of 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide?
4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2,4-dihydroxyphenyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46214870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).