butanedioic acid;1-(4-methoxyphenyl)piperazine

C15H22N2O5 — CID 18545024

IUPACbutanedioic acid;1-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCNCC2)cc1.O=C(O)CCC(=O)O
InChIInChI=1S/C11H16N2O.C4H6O4/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13;5-3(6)1-2-4(7)8/h2-5,12H,6-9H2,1H3;1-2H2,(H,5,6)(H,7,8)
InChIKeySBVNXSPDVWOQBS-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.04
Rot. Bonds5

About butanedioic acid;1-(4-methoxyphenyl)piperazine

butanedioic acid;1-(4-methoxyphenyl)piperazine (PubChem CID 18545024) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is butanedioic acid;1-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Namebutanedioic acid;1-(4-methoxyphenyl)piperazine
PubChem CID18545024
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Namebutanedioic acid;1-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCNCC2)cc1.O=C(O)CCC(=O)O
InChIInChI=1S/C11H16N2O.C4H6O4/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13;5-3(6)1-2-4(7)8/h2-5,12H,6-9H2,1H3;1-2H2,(H,5,6)(H,7,8)
InChIKeySBVNXSPDVWOQBS-UHFFFAOYSA-N
XLogP1.04
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butanedioic acid;1-(4-methoxyphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
(4-piperazin-1-ylphenyl) butanoate
CID 123824502
methyl 4-(4-piperazin-1-ylphenoxy)butanoate
CID 115410755
3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981160
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004298
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
1-(4-phenoxyphenyl)piperazine
CID 3017356
2-(4-piperazin-1-ylphenoxy)ethanol
CID 21363864
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
1-(4-acetylpiperazin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109018165

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;1-(4-methoxyphenyl)piperazine?
The IUPAC name of butanedioic acid;1-(4-methoxyphenyl)piperazine (CID 18545024) is butanedioic acid;1-(4-methoxyphenyl)piperazine.
What is the SMILES notation for butanedioic acid;1-(4-methoxyphenyl)piperazine?
The canonical SMILES for butanedioic acid;1-(4-methoxyphenyl)piperazine is COc1ccc(N2CCNCC2)cc1.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;1-(4-methoxyphenyl)piperazine?
The InChIKey is SBVNXSPDVWOQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C4H6O4/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13;5-3(6)1-2-4(7)8/h2-5,12H,6-9H2,1H3;1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;1-(4-methoxyphenyl)piperazine?
butanedioic acid;1-(4-methoxyphenyl)piperazine has a molecular weight of 310.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;1-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 18545024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).