(3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide

C23H27FN2O3 — CID 42244805

IUPAC(3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CC[C@@H](C(=O)N(CCO)Cc2ccccc2)CN1CCc1cccc(F)c1
InChIInChI=1S/C23H27FN2O3/c24-21-8-4-7-18(15-21)11-12-25-17-20(9-10-22(25)28)23(29)26(13-14-27)16-19-5-2-1-3-6-19/h1-8,15,20,27H,9-14,16-17H2/t20-/m1/s1
InChIKeyXLJYYYWUCLSELI-HXUWFJFHSA-N
MW398.48 g/mol
LogP2.63
Rot. Bonds8

About (3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide

(3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 42244805) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is (3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
PubChem CID42244805
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name(3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CC[C@@H](C(=O)N(CCO)Cc2ccccc2)CN1CCc1cccc(F)c1
InChIInChI=1S/C23H27FN2O3/c24-21-8-4-7-18(15-21)11-12-25-17-20(9-10-22(25)28)23(29)26(13-14-27)16-19-5-2-1-3-6-19/h1-8,15,20,27H,9-14,16-17H2/t20-/m1/s1
InChIKeyXLJYYYWUCLSELI-HXUWFJFHSA-N
XLogP2.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-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

(3S)-N-benzyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 97150658
(3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
CID 26333421
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-[4-(hydroxymethyl)piperidine-1-carbonyl]piperidin-2-one
CID 51903737
N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24816656
(3R)-N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42197532
(3S)-1-[2-(3-fluorophenyl)ethyl]-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 25311516
4-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 26331597
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 45242880
methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate
CID 42343426
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 45197099
1-[2-(3-fluorophenyl)ethyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one
CID 24790741
1-[2-(3-fluorophenyl)ethyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
CID 24819358

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide (CID 42244805) is (3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide is O=C1CC[C@@H](C(=O)N(CCO)Cc2ccccc2)CN1CCc1cccc(F)c1.
What is the InChIKey of (3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is XLJYYYWUCLSELI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27FN2O3/c24-21-8-4-7-18(15-21)11-12-25-17-20(9-10-22(25)28)23(29)26(13-14-27)16-19-5-2-1-3-6-19/h1-8,15,20,27H,9-14,16-17H2/t20-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
(3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-[2-(3-fluorophenyl)ethyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42244805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).