(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one

C19H26N2O2 — CID 110086882

IUPAC(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
SMILESCCN1C(=O)CC[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccccc1C
InChIInChI=1S/C19H26N2O2/c1-3-21-17(22)11-10-16(19(23)20-12-6-7-13-20)18(21)15-9-5-4-8-14(15)2/h4-5,8-9,16,18H,3,6-7,10-13H2,1-2H3/t16-,18+/m1/s1
InChIKeyRRKQBKRAJIUVAE-AEFFLSMTSA-N
MW314.43 g/mol
LogP2.92
Rot. Bonds3

About (5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one

(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one (PubChem CID 110086882) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
PubChem CID110086882
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
SMILESCCN1C(=O)CC[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccccc1C
InChIInChI=1S/C19H26N2O2/c1-3-21-17(22)11-10-16(19(23)20-12-6-7-13-20)18(21)15-9-5-4-8-14(15)2/h4-5,8-9,16,18H,3,6-7,10-13H2,1-2H3/t16-,18+/m1/s1
InChIKeyRRKQBKRAJIUVAE-AEFFLSMTSA-N
XLogP2.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-2-one
CID 110086869
(2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 110086978
(5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 110086886
(5R,6R)-1-ethyl-5-(4-methyl-1,4-diazepane-1-carbonyl)-6-(4-methylphenyl)piperidin-2-one
CID 110087385
(2S,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 51982847
6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 56730472
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide
CID 110087313
1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one
CID 55567142
(5R,6R)-6-(4-chlorophenyl)-1-ethyl-5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 110087389
(2R,3R)-1-ethyl-N-methyl-2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 110087546
(2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid
CID 95291759
(5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 110087742

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The IUPAC name of (5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one (CID 110086882) is (5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for (5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one is CCN1C(=O)CC[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccccc1C.
What is the InChIKey of (5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The InChIKey is RRKQBKRAJIUVAE-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-21-17(22)11-10-16(19(23)20-12-6-7-13-20)18(21)15-9-5-4-8-14(15)2/h4-5,8-9,16,18H,3,6-7,10-13H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of (5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 110086882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).