1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one

C17H22N2O4 — CID 3241551

IUPAC1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(CN2CC(C(=O)N3CCOCC3)CC2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-22-15-4-2-13(3-5-15)11-19-12-14(10-16(19)20)17(21)18-6-8-23-9-7-18/h2-5,14H,6-12H2,1H3
InChIKeyNZUXXRWXJZUREE-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.90
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one

1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one (PubChem CID 3241551) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one
PubChem CID3241551
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(CN2CC(C(=O)N3CCOCC3)CC2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-22-15-4-2-13(3-5-15)11-19-12-14(10-16(19)20)17(21)18-6-8-23-9-7-18/h2-5,14H,6-12H2,1H3
InChIKeyNZUXXRWXJZUREE-UHFFFAOYSA-N
XLogP0.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one (CID 3241551) is 1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one is COc1ccc(CN2CC(C(=O)N3CCOCC3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is NZUXXRWXJZUREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-15-4-2-13(3-5-15)11-19-12-14(10-16(19)20)17(21)18-6-8-23-9-7-18/h2-5,14H,6-12H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one?
1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 318.37 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 3241551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).