2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

C14H20N2O3 — CID 60637810

IUPAC2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H20N2O3/c1-18-11-14(17)16-9-7-15(8-10-16)12-3-5-13(19-2)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyRINYGZZMJPESJX-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.99
Rot. Bonds4

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

2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 60637810) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID60637810
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H20N2O3/c1-18-11-14(17)16-9-7-15(8-10-16)12-3-5-13(19-2)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyRINYGZZMJPESJX-UHFFFAOYSA-N
XLogP0.99
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
2-(4-methoxyphenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9253973
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 7274685
2-tert-butylsulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 78775432
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2677305
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 55756147
2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078995
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 7376507

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 60637810) is 2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is COCC(=O)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is RINYGZZMJPESJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-11-14(17)16-9-7-15(8-10-16)12-3-5-13(19-2)6-4-12/h3-6H,7-11H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 264.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60637810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).