(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide

C18H25FN2O3 — CID 110086982

IUPAC(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
SMILESCOCCN1C(=O)CC[C@@H](C(=O)NC(C)C)[C@@H]1c1ccccc1F
InChIInChI=1S/C18H25FN2O3/c1-12(2)20-18(23)14-8-9-16(22)21(10-11-24-3)17(14)13-6-4-5-7-15(13)19/h4-7,12,14,17H,8-11H2,1-3H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyQXOJPRXPNCLZOV-PBHICJAKSA-N
MW336.41 g/mol
LogP2.28
Rot. Bonds6

About (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide

(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 110086982) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID110086982
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
SMILESCOCCN1C(=O)CC[C@@H](C(=O)NC(C)C)[C@@H]1c1ccccc1F
InChIInChI=1S/C18H25FN2O3/c1-12(2)20-18(23)14-8-9-16(22)21(10-11-24-3)17(14)13-6-4-5-7-15(13)19/h4-7,12,14,17H,8-11H2,1-3H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyQXOJPRXPNCLZOV-PBHICJAKSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 110087175
(5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 110086886
(2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 110086978
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 110087065
(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 110087110
(2R,3R)-N-cyclopentyl-1-ethyl-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxamide
CID 110086897
(2S,3S)-1-(2-methoxyethyl)-6-oxo-2-[2-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid
CID 95276734
(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 110087023
(2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
CID 16765267
(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739787
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide
CID 55406258
(3R,4S)-2-(2-methoxyethyl)-1-oxo-3-phenyl-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 93020434

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide (CID 110086982) is (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide is COCCN1C(=O)CC[C@@H](C(=O)NC(C)C)[C@@H]1c1ccccc1F.
What is the InChIKey of (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is QXOJPRXPNCLZOV-PBHICJAKSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-12(2)20-18(23)14-8-9-16(22)21(10-11-24-3)17(14)13-6-4-5-7-15(13)19/h4-7,12,14,17H,8-11H2,1-3H3,(H,20,23)/t14-,17+/m1/s1.
What are the key properties of (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 110086982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).