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

C19H22N2O3 — CID 722098

IUPAC(4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-23-16-9-7-15(8-10-16)19(22)21-13-11-20(12-14-21)17-5-3-4-6-18(17)24-2/h3-10H,11-14H2,1-2H3
InChIKeyYSZVLCYDHLQROL-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.67
Rot. Bonds4

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

(4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 722098) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID722098
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-23-16-9-7-15(8-10-16)19(22)21-13-11-20(12-14-21)17-5-3-4-6-18(17)24-2/h3-10H,11-14H2,1-2H3
InChIKeyYSZVLCYDHLQROL-UHFFFAOYSA-N
XLogP2.67
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 722098) is (4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is YSZVLCYDHLQROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-16-9-7-15(8-10-16)19(22)21-13-11-20(12-14-21)17-5-3-4-6-18(17)24-2/h3-10H,11-14H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 722098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).