(3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one

C20H23N3O2 — CID 95255148

IUPAC(3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one
SMILESO=C1[C@H](Nc2cccc(N3CCOCC3)c2)CCN1c1ccccc1
InChIInChI=1S/C20H23N3O2/c24-20-19(9-10-23(20)17-6-2-1-3-7-17)21-16-5-4-8-18(15-16)22-11-13-25-14-12-22/h1-8,15,19,21H,9-14H2/t19-/m1/s1
InChIKeyAZFWXHKTMNMTPE-LJQANCHMSA-N
MW337.42 g/mol
LogP2.74
Rot. Bonds4

About (3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one

(3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one (PubChem CID 95255148) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one
PubChem CID95255148
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one
SMILESO=C1[C@H](Nc2cccc(N3CCOCC3)c2)CCN1c1ccccc1
InChIInChI=1S/C20H23N3O2/c24-20-19(9-10-23(20)17-6-2-1-3-7-17)21-16-5-4-8-18(15-16)22-11-13-25-14-12-22/h1-8,15,19,21H,9-14H2/t19-/m1/s1
InChIKeyAZFWXHKTMNMTPE-LJQANCHMSA-N
XLogP2.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one
CID 126788817
1-phenyl-3-(4-piperidin-1-ylanilino)piperidin-2-one
CID 139001524
4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide
CID 164619903
4-[2-oxo-3-(3-phenylsulfanylanilino)pyrrolidin-1-yl]benzonitrile
CID 166207233
1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
CID 126790945
1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515859
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)anilino]pyrrolidin-2-one
CID 111824444
1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]pyrrolidin-2-one
CID 75377340
N-ethyl-3-morpholin-4-ylaniline
CID 22605665
5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 97011173
3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline
CID 75497897
2-amino-2-(oxan-4-yl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 120792867

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one?
The IUPAC name of (3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one (CID 95255148) is (3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one is O=C1[C@H](Nc2cccc(N3CCOCC3)c2)CCN1c1ccccc1.
What is the InChIKey of (3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one?
The InChIKey is AZFWXHKTMNMTPE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20-19(9-10-23(20)17-6-2-1-3-7-17)21-16-5-4-8-18(15-16)22-11-13-25-14-12-22/h1-8,15,19,21H,9-14H2/t19-/m1/s1.
What are the key properties of (3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one?
(3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one has a molecular weight of 337.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 95255148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).