3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one

C21H25N3O2 — CID 126788817

IUPAC3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one
SMILESO=C1C(Nc2ccccc2CN2CCOCC2)CCN1c1ccccc1
InChIInChI=1S/C21H25N3O2/c25-21-20(10-11-24(21)18-7-2-1-3-8-18)22-19-9-5-4-6-17(19)16-23-12-14-26-15-13-23/h1-9,20,22H,10-16H2
InChIKeyXVHVPOPHCPPJOZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.74
Rot. Bonds5

About 3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one

3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one (PubChem CID 126788817) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one
PubChem CID126788817
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one
SMILESO=C1C(Nc2ccccc2CN2CCOCC2)CCN1c1ccccc1
InChIInChI=1S/C21H25N3O2/c25-21-20(10-11-24(21)18-7-2-1-3-8-18)22-19-9-5-4-6-17(19)16-23-12-14-26-15-13-23/h1-9,20,22H,10-16H2
InChIKeyXVHVPOPHCPPJOZ-UHFFFAOYSA-N
XLogP2.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
CID 126790945
1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
CID 126781578
(3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one
CID 95255148
N-benzyl-2-(morpholin-4-ylmethyl)aniline
CID 56787279
(3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one
CID 97307820
2-amino-2-(oxan-4-yl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 120792867
CID 131887032
CID 131887032
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214
2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
CID 71838669
N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 131915701
(3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one
CID 99854367
2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119859628

Frequently Asked Questions

What is the IUPAC name of 3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one (CID 126788817) is 3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one is O=C1C(Nc2ccccc2CN2CCOCC2)CCN1c1ccccc1.
What is the InChIKey of 3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one?
The InChIKey is XVHVPOPHCPPJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21-20(10-11-24(21)18-7-2-1-3-8-18)22-19-9-5-4-6-17(19)16-23-12-14-26-15-13-23/h1-9,20,22H,10-16H2.
What are the key properties of 3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one?
3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one has a molecular weight of 351.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 126788817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).