2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone

C18H25N3O4 — CID 779179

IUPAC2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H25N3O4/c1-24-16-4-2-15(3-5-16)18(23)21-8-6-19(7-9-21)14-17(22)20-10-12-25-13-11-20/h2-5H,6-14H2,1H3
InChIKeyPSWBKVWMVVCATC-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.31
Rot. Bonds4

About 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 779179) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID779179
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H25N3O4/c1-24-16-4-2-15(3-5-16)18(23)21-8-6-19(7-9-21)14-17(22)20-10-12-25-13-11-20/h2-5H,6-14H2,1H3
InChIKeyPSWBKVWMVVCATC-UHFFFAOYSA-N
XLogP0.31
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone 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 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 779179) is 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone is COc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is PSWBKVWMVVCATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-16-4-2-15(3-5-16)18(23)21-8-6-19(7-9-21)14-17(22)20-10-12-25-13-11-20/h2-5H,6-14H2,1H3.
What are the key properties of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 347.42 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 779179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).