3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide

C20H25N3O4 — CID 46055929

IUPAC3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(CN2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C20H25N3O4/c1-26-13-7-21-19(24)17-5-2-4-16(14-17)15-22-8-10-23(11-9-22)20(25)18-6-3-12-27-18/h2-6,12,14H,7-11,13,15H2,1H3,(H,21,24)
InChIKeyLBLHPDOTXGCCSI-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.61
Rot. Bonds7

About 3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide

3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide (PubChem CID 46055929) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide
PubChem CID46055929
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(CN2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C20H25N3O4/c1-26-13-7-21-19(24)17-5-2-4-16(14-17)15-22-8-10-23(11-9-22)20(25)18-6-3-12-27-18/h2-6,12,14H,7-11,13,15H2,1H3,(H,21,24)
InChIKeyLBLHPDOTXGCCSI-UHFFFAOYSA-N
XLogP1.61
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide
CID 46055934
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 110397663
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601104
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 109132957
N-[2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 111168079
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 111168505
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methoxypropyl)benzamide
CID 43918902
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166760
(Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide
CID 108833486

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide (CID 46055929) is 3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(CN2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of 3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is LBLHPDOTXGCCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-26-13-7-21-19(24)17-5-2-4-16(14-17)15-22-8-10-23(11-9-22)20(25)18-6-3-12-27-18/h2-6,12,14H,7-11,13,15H2,1H3,(H,21,24).
What are the key properties of 3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide?
3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 371.44 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 46055929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).