4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide

C18H23N3O4 — CID 113106510

IUPAC4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccco3)CC2)cc1OC
InChIInChI=1S/C18H23N3O4/c1-23-16-6-5-14(12-17(16)24-2)20-7-9-21(10-8-20)18(22)19-13-15-4-3-11-25-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,19,22)
InChIKeyUZFCCEJLUACTKG-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.33
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide

4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113106510) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113106510
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccco3)CC2)cc1OC
InChIInChI=1S/C18H23N3O4/c1-23-16-6-5-14(12-17(16)24-2)20-7-9-21(10-8-20)18(22)19-13-15-4-3-11-25-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,19,22)
InChIKeyUZFCCEJLUACTKG-UHFFFAOYSA-N
XLogP2.33
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.33
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

4-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106508
N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 110363825
4-(6,7-dimethoxyquinazolin-4-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 22707418
N-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113107969
N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108945089
4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 113110884
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 38210733
4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110199
4-(3,4-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109461
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 38202199
4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106498

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide (CID 113106510) is 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NCc3ccco3)CC2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is UZFCCEJLUACTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-23-16-6-5-14(12-17(16)24-2)20-7-9-21(10-8-20)18(22)19-13-15-4-3-11-25-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,19,22).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113106510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).