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

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Related Compounds

3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10205502
3-[[4-(diethylcarbamoyl)phenyl]-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10277998
4-[[4-(diethylcarbamoyl)phenyl]-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-ylidene]methyl]benzamide
CID 11420674
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
[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
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
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
methyl N-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenyl]carbamate
CID 58928477

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).