3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate

C19H24N2O4 — CID 15572537

IUPAC3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate
SMILESCOc1cccc(N2CCN(CCCOC(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H24N2O4/c1-23-17-6-2-5-16(15-17)21-11-9-20(10-12-21)8-4-14-25-19(22)18-7-3-13-24-18/h2-3,5-7,13,15H,4,8-12,14H2,1H3
InChIKeyUZJJWUSWTWWZEX-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.66
Rot. Bonds7

About 3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate

3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate (PubChem CID 15572537) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate.

Molecular Properties

Compound Name3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate
PubChem CID15572537
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate
SMILESCOc1cccc(N2CCN(CCCOC(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H24N2O4/c1-23-17-6-2-5-16(15-17)21-11-9-20(10-12-21)8-4-14-25-19(22)18-7-3-13-24-18/h2-3,5-7,13,15H,4,8-12,14H2,1H3
InChIKeyUZJJWUSWTWWZEX-UHFFFAOYSA-N
XLogP2.66
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]guanidine
CID 91045030
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] furan-2-carboxylate
CID 7378693
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055949
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
CID 106799286
3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate
CID 58904664
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 66455314

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate?
The IUPAC name of 3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate (CID 15572537) is 3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate.
What is the SMILES notation for 3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate?
The canonical SMILES for 3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate is COc1cccc(N2CCN(CCCOC(=O)c3ccco3)CC2)c1.
What is the InChIKey of 3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate?
The InChIKey is UZJJWUSWTWWZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-23-17-6-2-5-16(15-17)21-11-9-20(10-12-21)8-4-14-25-19(22)18-7-3-13-24-18/h2-3,5-7,13,15H,4,8-12,14H2,1H3.
What are the key properties of 3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate?
3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl furan-2-carboxylate is sourced from PubChem (CID 15572537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).