(2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

C20H24N2O2 — CID 1246224

IUPAC(2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-6-5-9-18(19)20(23)22-15-13-21(14-16-22)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyIQSFZUYWGSGSKV-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.70
Rot. Bonds5

About (2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 1246224) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID1246224
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c1-24-19-10-6-5-9-18(19)20(23)22-15-13-21(14-16-22)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyIQSFZUYWGSGSKV-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 1246224) is (2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is IQSFZUYWGSGSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19-10-6-5-9-18(19)20(23)22-15-13-21(14-16-22)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1246224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).