(3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H25N3O3 — CID 2506973

IUPAC(3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C22H25N3O3/c26-21-14-18(16-25(21)15-17-4-2-1-3-5-17)22(27)23-19-6-8-20(9-7-19)24-10-12-28-13-11-24/h1-9,18H,10-16H2,(H,23,27)/t18-/m1/s1
InChIKeyRQFIFTJPCUCHEW-GOSISDBHSA-N
MW379.46 g/mol
LogP2.51
Rot. Bonds5

About (3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2506973) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2506973
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C22H25N3O3/c26-21-14-18(16-25(21)15-17-4-2-1-3-5-17)22(27)23-19-6-8-20(9-7-19)24-10-12-28-13-11-24/h1-9,18H,10-16H2,(H,23,27)/t18-/m1/s1
InChIKeyRQFIFTJPCUCHEW-GOSISDBHSA-N
XLogP2.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 4811389
(3R)-5-oxo-1-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922412
(3S)-1-[(4-methylphenyl)methyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7409309
methyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018551
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 42996257
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
(3R)-1-benzyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40606403
1-benzyl-N-[4-(difluoromethylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 24819833
N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108730965
(3R)-1-benzyl-N-[4-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8502653
(3R)-1-benzyl-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95344166

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2506973) is (3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RQFIFTJPCUCHEW-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21-14-18(16-25(21)15-17-4-2-1-3-5-17)22(27)23-19-6-8-20(9-7-19)24-10-12-28-13-11-24/h1-9,18H,10-16H2,(H,23,27)/t18-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2506973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).