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

C19H24N2O4 — CID 18083540

IUPACethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H24N2O4/c1-3-24-19(22)17-8-13-25-18(17)14-20-9-11-21(12-10-20)15-4-6-16(23-2)7-5-15/h4-8,13H,3,9-12,14H2,1-2H3
InChIKeyZNOAQUKXVAFWKL-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.79
Rot. Bonds6

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

ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate (PubChem CID 18083540) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate
PubChem CID18083540
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H24N2O4/c1-3-24-19(22)17-8-13-25-18(17)14-20-9-11-21(12-10-20)15-4-6-16(23-2)7-5-15/h4-8,13H,3,9-12,14H2,1-2H3
InChIKeyZNOAQUKXVAFWKL-UHFFFAOYSA-N
XLogP2.79
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 51072756
ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate
CID 51072760
diethyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-2,6-dicarboxylate
CID 7084952
methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
ethyl 4-(4-methoxyphenyl)-6-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46920888
1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 3717638
ethyl (4R)-4-(4-ethoxyphenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95202035
ethyl (4R)-4-(4-chlorophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 51604740
ethyl 2-(4-methoxyphenyl)-4-piperidin-1-ylbenzoate
CID 139893198
ethyl 3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 50765029
ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 62737323
ethyl 2-[(N-benzyl-4-methoxyanilino)methyl]furan-3-carboxylate
CID 18278042

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate (CID 18083540) is ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CN1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate?
The InChIKey is ZNOAQUKXVAFWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-24-19(22)17-8-13-25-18(17)14-20-9-11-21(12-10-20)15-4-6-16(23-2)7-5-15/h4-8,13H,3,9-12,14H2,1-2H3.
What are the key properties of ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate?
ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 18083540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).