1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one

C22H24N2O3 — CID 110629818

IUPAC1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1Cc1ccccc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H24N2O3/c25-21-12-11-19(24(21)15-17-7-3-1-4-8-17)22(26)23-13-14-27-20(16-23)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChIKeyJEJUXYCKDUBWMX-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.78
Rot. Bonds4

About 1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one

1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 110629818) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID110629818
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1Cc1ccccc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H24N2O3/c25-21-12-11-19(24(21)15-17-7-3-1-4-8-17)22(26)23-13-14-27-20(16-23)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChIKeyJEJUXYCKDUBWMX-UHFFFAOYSA-N
XLogP2.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110631322
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid
CID 119248281
[(2S)-oxolan-2-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 51710322
(5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one
CID 94582684
1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110387617
(5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one
CID 119411274
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
(2-phenylmorpholin-4-yl)-piperidin-2-ylmethanone
CID 60962617
N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]-3-phenylpropanamide
CID 30851130

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one (CID 110629818) is 1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one is O=C(C1CCC(=O)N1Cc1ccccc1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is JEJUXYCKDUBWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21-12-11-19(24(21)15-17-7-3-1-4-8-17)22(26)23-13-14-27-20(16-23)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2.
What are the key properties of 1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one?
1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 364.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110629818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).