N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide

C24H30N2O2 — CID 23435898

IUPACN,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(OC)c2)cc1
InChIInChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)20-11-9-18(10-12-20)23(19-13-15-25-16-14-19)21-7-6-8-22(17-21)28-3/h6-12,17,25H,4-5,13-16H2,1-3H3
InChIKeyUWERJSHTOGBZDV-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.36
Rot. Bonds6

About N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide

N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide (PubChem CID 23435898) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide
PubChem CID23435898
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(OC)c2)cc1
InChIInChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)20-11-9-18(10-12-20)23(19-13-15-25-16-14-19)21-7-6-8-22(17-21)28-3/h6-12,17,25H,4-5,13-16H2,1-3H3
InChIKeyUWERJSHTOGBZDV-UHFFFAOYSA-N
XLogP4.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide (CID 23435898) is N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(OC)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide?
The InChIKey is UWERJSHTOGBZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)20-11-9-18(10-12-20)23(19-13-15-25-16-14-19)21-7-6-8-22(17-21)28-3/h6-12,17,25H,4-5,13-16H2,1-3H3.
What are the key properties of N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide?
N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide is sourced from PubChem (CID 23435898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).