1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone

C21H24N2O4 — CID 1148067

IUPAC1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H24N2O4/c1-26-18-13-17(14-19(15-18)27-2)21(25)23-10-8-22(9-11-23)20(24)12-16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3
InChIKeyNLCIJUMZXNYTQO-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.23
Rot. Bonds5

About 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone

1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 1148067) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
PubChem CID1148067
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H24N2O4/c1-26-18-13-17(14-19(15-18)27-2)21(25)23-10-8-22(9-11-23)20(24)12-16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3
InChIKeyNLCIJUMZXNYTQO-UHFFFAOYSA-N
XLogP2.23
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone (CID 1148067) is 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone is COc1cc(OC)cc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is NLCIJUMZXNYTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-18-13-17(14-19(15-18)27-2)21(25)23-10-8-22(9-11-23)20(24)12-16-6-4-3-5-7-16/h3-7,13-15H,8-12H2,1-2H3.
What are the key properties of 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 368.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 1148067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).