4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide

C30H33ClN2O — CID 23435903

IUPAC4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccccc3)CC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H33ClN2O/c1-3-33(4-2)30(34)27-12-10-24(11-13-27)29(25-14-16-28(31)17-15-25)26-18-20-32(21-19-26)22-23-8-6-5-7-9-23/h5-17H,3-4,18-22H2,1-2H3
InChIKeyVVJDWIXXTWQXGN-UHFFFAOYSA-N
MW473.06 g/mol
LogP6.92
Rot. Bonds7

About 4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide

4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide (PubChem CID 23435903) has the molecular formula C30H33ClN2O and a molecular weight of 473.06 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide
PubChem CID23435903
Molecular FormulaC30H33ClN2O
Molecular Weight473.06 g/mol
Exact Mass472.23
IUPAC Name4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccccc3)CC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H33ClN2O/c1-3-33(4-2)30(34)27-12-10-24(11-13-27)29(25-14-16-28(31)17-15-25)26-18-20-32(21-19-26)22-23-8-6-5-7-9-23/h5-17H,3-4,18-22H2,1-2H3
InChIKeyVVJDWIXXTWQXGN-UHFFFAOYSA-N
XLogP6.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.06
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[(1-benzylpiperidin-4-ylidene)-bromomethyl]-N,N-diethylbenzamide;4-[bromo(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide;dichloromethane
CID 159372011
N,N-diethyl-4-[[1-(3-methylbut-2-enyl)piperidin-4-ylidene]-phenylmethyl]benzamide
CID 10549849
3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-3-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10205502
4-[bromo-[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]methyl]-N,N-diethylbenzamide
CID 67092079
N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride
CID 76848958
N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide
CID 10117292
[3-[[4-(diethylcarbamoyl)phenyl]-(1-propylpiperidin-4-ylidene)methyl]phenyl]carbamic acid
CID 69478896
1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone
CID 23383814
4-[[4-(diethylcarbamoyl)phenyl]-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-ylidene]methyl]benzamide
CID 11420674
3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10298976

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide (CID 23435903) is 4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccccc3)CC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide?
The InChIKey is VVJDWIXXTWQXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN2O/c1-3-33(4-2)30(34)27-12-10-24(11-13-27)29(25-14-16-28(31)17-15-25)26-18-20-32(21-19-26)22-23-8-6-5-7-9-23/h5-17H,3-4,18-22H2,1-2H3.
What are the key properties of 4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide?
4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide has a molecular weight of 473.06 g/mol, XLogP of 6.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 23435903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).