4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide

C25H30N2O2 — CID 10596575

IUPAC4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C25H30N2O2/c1-4-27(5-2)25(29)21-11-9-19(10-12-21)24(20-13-15-26-16-14-20)23-8-6-7-22(17-23)18(3)28/h6-12,17,26H,4-5,13-16H2,1-3H3
InChIKeyZBAGZGHBYQNLID-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.56
Rot. Bonds6

About 4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide

4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide (PubChem CID 10596575) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
PubChem CID10596575
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C25H30N2O2/c1-4-27(5-2)25(29)21-11-9-19(10-12-21)24(20-13-15-26-16-14-20)23-8-6-7-22(17-23)18(3)28/h6-12,17,26H,4-5,13-16H2,1-3H3
InChIKeyZBAGZGHBYQNLID-UHFFFAOYSA-N
XLogP4.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide (CID 10596575) is 4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(C(C)=O)c2)cc1.
What is the InChIKey of 4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The InChIKey is ZBAGZGHBYQNLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-4-27(5-2)25(29)21-11-9-19(10-12-21)24(20-13-15-26-16-14-20)23-8-6-7-22(17-23)18(3)28/h6-12,17,26H,4-5,13-16H2,1-3H3.
What are the key properties of 4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide has a molecular weight of 390.53 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-acetylphenyl)-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide is sourced from PubChem (CID 10596575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).