4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide

C25H32N2O — CID 10785784

IUPAC4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2c(C)cccc2C)cc1
InChIInChI=1S/C25H32N2O/c1-5-27(6-2)25(28)22-12-10-20(11-13-22)24(21-14-16-26-17-15-21)23-18(3)8-7-9-19(23)4/h7-13,26H,5-6,14-17H2,1-4H3
InChIKeyVRGXOXPEPQLCSM-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.97
Rot. Bonds5

About 4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide

4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide (PubChem CID 10785784) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
PubChem CID10785784
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2c(C)cccc2C)cc1
InChIInChI=1S/C25H32N2O/c1-5-27(6-2)25(28)22-12-10-20(11-13-22)24(21-14-16-26-17-15-21)23-18(3)8-7-9-19(23)4/h7-13,26H,5-6,14-17H2,1-4H3
InChIKeyVRGXOXPEPQLCSM-UHFFFAOYSA-N
XLogP4.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
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AR-M1000390
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4-methyl-N-(2-phenylethyl)benzamide
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4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
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3,4-dihydro-5-methyl-1(2H)-isoquinolinone
CID 148140
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
Bunaftine
CID 36131
ChiRYun
CID 389617
N-Ethyl-3-toluamide
CID 93103
3-Azatricyclo[7.3.1.0,5,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
CID 10130246

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide (CID 10785784) is 4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2c(C)cccc2C)cc1.
What is the InChIKey of 4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The InChIKey is VRGXOXPEPQLCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-5-27(6-2)25(28)22-12-10-20(11-13-22)24(21-14-16-26-17-15-21)23-18(3)8-7-9-19(23)4/h7-13,26H,5-6,14-17H2,1-4H3.
What are the key properties of 4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide has a molecular weight of 376.54 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide is sourced from PubChem (CID 10785784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).