N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide

C24H27N3O3 — CID 42858729

IUPACN-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(N2CCN(Cc3ccc(C(=O)NCc4ccccc4)o3)CC2)cc1
InChIInChI=1S/C24H27N3O3/c1-29-21-9-7-20(8-10-21)27-15-13-26(14-16-27)18-22-11-12-23(30-22)24(28)25-17-19-5-3-2-4-6-19/h2-12H,13-18H2,1H3,(H,25,28)
InChIKeyXUOYBYAEMFFDKL-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.54
Rot. Bonds7

About N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide

N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide (PubChem CID 42858729) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
PubChem CID42858729
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(N2CCN(Cc3ccc(C(=O)NCc4ccccc4)o3)CC2)cc1
InChIInChI=1S/C24H27N3O3/c1-29-21-9-7-20(8-10-21)27-15-13-26(14-16-27)18-22-11-12-23(30-22)24(28)25-17-19-5-3-2-4-6-19/h2-12H,13-18H2,1H3,(H,25,28)
InChIKeyXUOYBYAEMFFDKL-UHFFFAOYSA-N
XLogP3.54
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527
N-[(4-fluorophenyl)methyl]-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850815
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 46055967
N-[(3-methoxyphenyl)methyl]-5-[[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl]furan-2-carboxamide
CID 46283277
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(piperidin-1-ylmethyl)furan-2-yl]methanone
CID 35333195
4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858721
1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 3717638
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850808
methyl 5-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 8689991
5-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 42824140

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide (CID 42858729) is N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide is COc1ccc(N2CCN(Cc3ccc(C(=O)NCc4ccccc4)o3)CC2)cc1.
What is the InChIKey of N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is XUOYBYAEMFFDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-29-21-9-7-20(8-10-21)27-15-13-26(14-16-27)18-22-11-12-23(30-22)24(28)25-17-19-5-3-2-4-6-19/h2-12H,13-18H2,1H3,(H,25,28).
What are the key properties of N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide?
N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 42858729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).