(5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one

C28H34N2O2 — CID 122432421

IUPAC(5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one
SMILESO=C(C1CC2CC(C1)CN(Cc1ccccc1)C2)[C@@H]1CCC(=O)N1CCc1ccccc1
InChIInChI=1S/C28H34N2O2/c31-27-12-11-26(30(27)14-13-21-7-3-1-4-8-21)28(32)25-16-23-15-24(17-25)20-29(19-23)18-22-9-5-2-6-10-22/h1-10,23-26H,11-20H2/t23?,24?,25?,26-/m0/s1
InChIKeyJOSCMQQEDYJCRB-ILVMPNSOSA-N
MW430.59 g/mol
LogP4.34
Rot. Bonds7

About (5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one

(5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 122432421) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is (5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID122432421
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name(5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one
SMILESO=C(C1CC2CC(C1)CN(Cc1ccccc1)C2)[C@@H]1CCC(=O)N1CCc1ccccc1
InChIInChI=1S/C28H34N2O2/c31-27-12-11-26(30(27)14-13-21-7-3-1-4-8-21)28(32)25-16-23-15-24(17-25)20-29(19-23)18-22-9-5-2-6-10-22/h1-10,23-26H,11-20H2/t23?,24?,25?,26-/m0/s1
InChIKeyJOSCMQQEDYJCRB-ILVMPNSOSA-N
XLogP4.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one with MolForge

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Related Compounds

5-(7-benzyl-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)-1-[(2-bromophenyl)methyl]pyrrolidin-2-one
CID 122422762
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
7-[(2R)-2-(1-hydroxy-4-phenylbut-1-enyl)-5-oxopyrrolidin-1-yl]heptanoic acid
CID 70611188
Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate
CID 15337768
5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 110687274
(3aS,6aR)-2-benzyl-5-(2-phenylethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91916070
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
tert-butyl (5R)-7-benzyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 135043490
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide
CID 139335074
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-[1-(cyclobutanecarbonyl)azetidin-3-yl]-2-oxoacetamide
CID 134349368
[(2S)-1-(7-benzyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3-methyl-1-oxo-5-phenylpentan-2-yl] carbamate
CID 122422767

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one (CID 122432421) is (5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one is O=C(C1CC2CC(C1)CN(Cc1ccccc1)C2)[C@@H]1CCC(=O)N1CCc1ccccc1.
What is the InChIKey of (5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is JOSCMQQEDYJCRB-ILVMPNSOSA-N. The full InChI is InChI=1S/C28H34N2O2/c31-27-12-11-26(30(27)14-13-21-7-3-1-4-8-21)28(32)25-16-23-15-24(17-25)20-29(19-23)18-22-9-5-2-6-10-22/h1-10,23-26H,11-20H2/t23?,24?,25?,26-/m0/s1.
What are the key properties of (5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one?
(5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 430.59 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-benzyl-3-azabicyclo[3.3.1]nonane-7-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 122432421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).