1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone

C20H24N2O2 — CID 742502

IUPAC1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccccc1CN1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-6-5-9-18(19)16-21-11-13-22(14-12-21)20(23)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyONSAXNWLIRCVND-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.58
Rot. Bonds5

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

1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 742502) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
PubChem CID742502
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccccc1CN1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-6-5-9-18(19)16-21-11-13-22(14-12-21)20(23)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyONSAXNWLIRCVND-UHFFFAOYSA-N
XLogP2.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone (CID 742502) is 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone is COc1ccccc1CN1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is ONSAXNWLIRCVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-10-6-5-9-18(19)16-21-11-13-22(14-12-21)20(23)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3.
What are the key properties of 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone?
1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 324.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 742502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).