3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide

C29H33N3O3 — CID 10298976

IUPAC3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccco3)CC2)c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C29H33N3O3/c1-3-32(4-2)29(34)23-12-10-21(11-13-23)27(24-7-5-8-25(19-24)28(30)33)22-14-16-31(17-15-22)20-26-9-6-18-35-26/h5-13,18-19H,3-4,14-17,20H2,1-2H3,(H2,30,33)
InChIKeyAIEAPRKNTLBQKF-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.96
Rot. Bonds8

About 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide

3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide (PubChem CID 10298976) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide.

Molecular Properties

Compound Name3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
PubChem CID10298976
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccco3)CC2)c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C29H33N3O3/c1-3-32(4-2)29(34)23-12-10-21(11-13-23)27(24-7-5-8-25(19-24)28(30)33)22-14-16-31(17-15-22)20-26-9-6-18-35-26/h5-13,18-19H,3-4,14-17,20H2,1-2H3,(H2,30,33)
InChIKeyAIEAPRKNTLBQKF-UHFFFAOYSA-N
XLogP4.96
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
The IUPAC name of 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide (CID 10298976) is 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide.
What is the SMILES notation for 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
The canonical SMILES for 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccco3)CC2)c2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
The InChIKey is AIEAPRKNTLBQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-3-32(4-2)29(34)23-12-10-21(11-13-23)27(24-7-5-8-25(19-24)28(30)33)22-14-16-31(17-15-22)20-26-9-6-18-35-26/h5-13,18-19H,3-4,14-17,20H2,1-2H3,(H2,30,33).
What are the key properties of 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide has a molecular weight of 471.60 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide is sourced from PubChem (CID 10298976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).