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

C15H19FN2O3 — CID 51903346

IUPAC(3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCO)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C15H19FN2O3/c16-13-4-2-1-3-11(13)9-18-10-12(5-6-14(18)20)15(21)17-7-8-19/h1-4,12,19H,5-10H2,(H,17,21)/t12-/m1/s1
InChIKeySWZSPMGSPLQTPB-GFCCVEGCSA-N
MW294.33 g/mol
LogP0.67
Rot. Bonds5

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

(3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 51903346) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
PubChem CID51903346
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCO)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C15H19FN2O3/c16-13-4-2-1-3-11(13)9-18-10-12(5-6-14(18)20)15(21)17-7-8-19/h1-4,12,19H,5-10H2,(H,17,21)/t12-/m1/s1
InChIKeySWZSPMGSPLQTPB-GFCCVEGCSA-N
XLogP0.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-6-oxo-N-(4-pyrrolidin-1-ylbutyl)piperidine-3-carboxamide
CID 72852888
(3R)-N-[3-[cyclopentyl(methyl)amino]propyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25281331
(3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 42304508
(3S)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxopiperidine-3-carboxamide
CID 25366722
(3S)-1-[(2-fluorophenyl)methyl]-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-6-oxopiperidine-3-carboxamide
CID 97114771
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45250692
1-[(2-fluorophenyl)methyl]-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxamide
CID 24790737
(3S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018474
N-[(2-chlorophenyl)methyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183420
(3R)-N-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42360720
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
CID 24793091
methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate
CID 26406507

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide (CID 51903346) is (3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide is O=C(NCCO)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of (3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is SWZSPMGSPLQTPB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-4-2-1-3-11(13)9-18-10-12(5-6-14(18)20)15(21)17-7-8-19/h1-4,12,19H,5-10H2,(H,17,21)/t12-/m1/s1.
What are the key properties of (3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide?
(3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 51903346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).