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

C29H33N3O3 — CID 10205502

IUPAC3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccoc3)CC2)c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C29H33N3O3/c1-3-32(4-2)29(34)24-10-8-22(9-11-24)27(25-6-5-7-26(18-25)28(30)33)23-12-15-31(16-13-23)19-21-14-17-35-20-21/h5-11,14,17-18,20H,3-4,12-13,15-16,19H2,1-2H3,(H2,30,33)
InChIKeyMWBMMENEYRKEAK-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.96
Rot. Bonds8

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

3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide (PubChem CID 10205502) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide.

Molecular Properties

Compound Name3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide
PubChem CID10205502
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccoc3)CC2)c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C29H33N3O3/c1-3-32(4-2)29(34)24-10-8-22(9-11-24)27(25-6-5-7-26(18-25)28(30)33)23-12-15-31(16-13-23)19-21-14-17-35-20-21/h5-11,14,17-18,20H,3-4,12-13,15-16,19H2,1-2H3,(H2,30,33)
InChIKeyMWBMMENEYRKEAK-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

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Related Compounds

3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10298976
3-[[4-(diethylcarbamoyl)phenyl]-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10277998
4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 10226133
N,N-diethyl-4-[(3-fluorophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]benzamide
CID 57392492
4-[[4-(diethylcarbamoyl)phenyl]-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-ylidene]methyl]benzamide
CID 11420674
4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide
CID 23435903
N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10297282
[3-[[4-(diethylcarbamoyl)phenyl]-(1-propylpiperidin-4-ylidene)methyl]phenyl]carbamic acid
CID 69478896
4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid
CID 69475946
3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid
CID 75482711
N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide
CID 10549849
N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide
CID 142966943

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
The IUPAC name of 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide (CID 10205502) is 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide.
What is the SMILES notation for 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
The canonical SMILES for 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccoc3)CC2)c2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
The InChIKey is MWBMMENEYRKEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-3-32(4-2)29(34)24-10-8-22(9-11-24)27(25-6-5-7-26(18-25)28(30)33)23-12-15-31(16-13-23)19-21-14-17-35-20-21/h5-11,14,17-18,20H,3-4,12-13,15-16,19H2,1-2H3,(H2,30,33).
What are the key properties of 3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-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-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide is sourced from PubChem (CID 10205502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).