(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

C18H25FN2O2 — CID 110087065

IUPAC(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCC(C)C)[C@@H]1c1ccccc1F
InChIInChI=1S/C18H25FN2O2/c1-4-21-16(22)10-9-14(18(23)20-11-12(2)3)17(21)13-7-5-6-8-15(13)19/h5-8,12,14,17H,4,9-11H2,1-3H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyBCIMCNXQKZEPAK-PBHICJAKSA-N
MW320.41 g/mol
LogP2.90
Rot. Bonds5

About (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 110087065) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID110087065
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCC(C)C)[C@@H]1c1ccccc1F
InChIInChI=1S/C18H25FN2O2/c1-4-21-16(22)10-9-14(18(23)20-11-12(2)3)17(21)13-7-5-6-8-15(13)19/h5-8,12,14,17H,4,9-11H2,1-3H3,(H,20,23)/t14-,17+/m1/s1
InChIKeyBCIMCNXQKZEPAK-PBHICJAKSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-N-cyclopentyl-1-ethyl-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxamide
CID 110086897
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086760
(2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 110086978
(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 110086982
(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 110087175
(2R,3R)-N-benzyl-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxamide
CID 110086831
N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 56730429
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 110087368
N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 56730452
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 110086952
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086759
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 110086940

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide (CID 110087065) is (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)NCC(C)C)[C@@H]1c1ccccc1F.
What is the InChIKey of (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is BCIMCNXQKZEPAK-PBHICJAKSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-4-21-16(22)10-9-14(18(23)20-11-12(2)3)17(21)13-7-5-6-8-15(13)19/h5-8,12,14,17H,4,9-11H2,1-3H3,(H,20,23)/t14-,17+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110087065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).