1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone

C21H24N2O3 — CID 1359190

IUPAC1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone
SMILESCc1ccc(OCC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-17-7-9-19(10-8-17)26-16-21(25)23-13-11-22(12-14-23)20(24)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyOJNBRHBFNFAMFH-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.29
Rot. Bonds5

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

1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 1359190) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone
PubChem CID1359190
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone
SMILESCc1ccc(OCC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-17-7-9-19(10-8-17)26-16-21(25)23-13-11-22(12-14-23)20(24)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyOJNBRHBFNFAMFH-UHFFFAOYSA-N
XLogP2.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone (CID 1359190) is 1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone is Cc1ccc(OCC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is OJNBRHBFNFAMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-17-7-9-19(10-8-17)26-16-21(25)23-13-11-22(12-14-23)20(24)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3.
What are the key properties of 1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone?
1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 352.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 1359190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).