(3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid

C20H21FN2O4 — CID 133132479

IUPAC(3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)CN(Cc2cccc(O)c2)C1
InChIInChI=1S/C20H21FN2O4/c21-16-4-6-17(7-5-16)22-19(25)14-9-15(20(26)27)12-23(11-14)10-13-2-1-3-18(24)8-13/h1-8,14-15,24H,9-12H2,(H,22,25)(H,26,27)/t14-,15+/m0/s1
InChIKeyCGTAKJKMWADTNC-LSDHHAIUSA-N
MW372.40 g/mol
LogP2.69
Rot. Bonds5

About (3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid

(3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 133132479) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is (3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID133132479
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name(3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)CN(Cc2cccc(O)c2)C1
InChIInChI=1S/C20H21FN2O4/c21-16-4-6-17(7-5-16)22-19(25)14-9-15(20(26)27)12-23(11-14)10-13-2-1-3-18(24)8-13/h1-8,14-15,24H,9-12H2,(H,22,25)(H,26,27)/t14-,15+/m0/s1
InChIKeyCGTAKJKMWADTNC-LSDHHAIUSA-N
XLogP2.69
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-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

(3R,5S)-1-(2,2-dimethylpropyl)-5-[(4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 133113152
(3R,5S)-1-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 133134912
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
(3R)-1-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017753
(3R,5R)-N-(4-fluorophenyl)-5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyrrolidine-3-carboxamide
CID 92607866
(3S)-1-[(4-fluorophenyl)methyl]-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39346774
(3S,5R)-3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide
CID 56853967
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
(3S,5R)-1-[(3,4-dimethoxyphenyl)methyl]-3-N-[(3,5-dimethylphenyl)methyl]-5-N-(4-fluorophenyl)piperidine-3,5-dicarboxamide
CID 56859180
(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 26315659
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid (CID 133132479) is (3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)CN(Cc2cccc(O)c2)C1.
What is the InChIKey of (3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is CGTAKJKMWADTNC-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H21FN2O4/c21-16-4-6-17(7-5-16)22-19(25)14-9-15(20(26)27)12-23(11-14)10-13-2-1-3-18(24)8-13/h1-8,14-15,24H,9-12H2,(H,22,25)(H,26,27)/t14-,15+/m0/s1.
What are the key properties of (3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid?
(3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(4-fluorophenyl)carbamoyl]-1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 133132479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).