2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone

C24H24N2O4 — CID 660576

IUPAC2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C24H24N2O4/c1-29-19-9-11-20(12-10-19)30-17-23(27)25-13-15-26(16-14-25)24(28)22-8-4-6-18-5-2-3-7-21(18)22/h2-12H,13-17H2,1H3
InChIKeyHJBRLEWKIGHBPA-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.21
Rot. Bonds5

About 2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone

2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone (PubChem CID 660576) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
PubChem CID660576
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C24H24N2O4/c1-29-19-9-11-20(12-10-19)30-17-23(27)25-13-15-26(16-14-25)24(28)22-8-4-6-18-5-2-3-7-21(18)22/h2-12H,13-17H2,1H3
InChIKeyHJBRLEWKIGHBPA-UHFFFAOYSA-N
XLogP3.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone (CID 660576) is 2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone is COc1ccc(OCC(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is HJBRLEWKIGHBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-29-19-9-11-20(12-10-19)30-17-23(27)25-13-15-26(16-14-25)24(28)22-8-4-6-18-5-2-3-7-21(18)22/h2-12H,13-17H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone?
2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 404.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 660576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).