1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone

C20H22N2O3 — CID 787279

IUPAC1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c1-25-18-10-6-5-9-17(18)20(24)22-13-11-21(12-14-22)19(23)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeySRBAEWYIGTYVDL-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.22
Rot. Bonds4

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

1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 787279) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone
PubChem CID787279
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c1-25-18-10-6-5-9-17(18)20(24)22-13-11-21(12-14-22)19(23)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeySRBAEWYIGTYVDL-UHFFFAOYSA-N
XLogP2.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone (CID 787279) is 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone is COc1ccccc1C(=O)N1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is SRBAEWYIGTYVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-18-10-6-5-9-17(18)20(24)22-13-11-21(12-14-22)19(23)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3.
What are the key properties of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 338.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 787279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).