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

C24H30N2OS — CID 10692042

IUPACN,N-diethyl-4-[(4-methylsulfanylphenyl)-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(SC)cc2)cc1
InChIInChI=1S/C24H30N2OS/c1-4-26(5-2)24(27)21-8-6-18(7-9-21)23(20-14-16-25-17-15-20)19-10-12-22(28-3)13-11-19/h6-13,25H,4-5,14-17H2,1-3H3
InChIKeyIJHGFEFPIKWXTF-UHFFFAOYSA-N
MW394.58 g/mol
LogP5.08
Rot. Bonds6

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

N,N-diethyl-4-[(4-methylsulfanylphenyl)-piperidin-4-ylidenemethyl]benzamide (PubChem CID 10692042) has the molecular formula C24H30N2OS and a molecular weight of 394.58 g/mol. Its IUPAC name is N,N-diethyl-4-[(4-methylsulfanylphenyl)-piperidin-4-ylidenemethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(4-methylsulfanylphenyl)-piperidin-4-ylidenemethyl]benzamide
PubChem CID10692042
Molecular FormulaC24H30N2OS
Molecular Weight394.58 g/mol
Exact Mass394.21
IUPAC NameN,N-diethyl-4-[(4-methylsulfanylphenyl)-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(SC)cc2)cc1
InChIInChI=1S/C24H30N2OS/c1-4-26(5-2)24(27)21-8-6-18(7-9-21)23(20-14-16-25-17-15-20)19-10-12-22(28-3)13-11-19/h6-13,25H,4-5,14-17H2,1-3H3
InChIKeyIJHGFEFPIKWXTF-UHFFFAOYSA-N
XLogP5.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.58
LogP ≤ 55.08
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-[(4-methylsulfanylphenyl)-piperidin-4-ylidenemethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(4-methylsulfanylphenyl)-piperidin-4-ylidenemethyl]benzamide (CID 10692042) is N,N-diethyl-4-[(4-methylsulfanylphenyl)-piperidin-4-ylidenemethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(4-methylsulfanylphenyl)-piperidin-4-ylidenemethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(4-methylsulfanylphenyl)-piperidin-4-ylidenemethyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(SC)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(4-methylsulfanylphenyl)-piperidin-4-ylidenemethyl]benzamide?
The InChIKey is IJHGFEFPIKWXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2OS/c1-4-26(5-2)24(27)21-8-6-18(7-9-21)23(20-14-16-25-17-15-20)19-10-12-22(28-3)13-11-19/h6-13,25H,4-5,14-17H2,1-3H3.
What are the key properties of N,N-diethyl-4-[(4-methylsulfanylphenyl)-piperidin-4-ylidenemethyl]benzamide?
N,N-diethyl-4-[(4-methylsulfanylphenyl)-piperidin-4-ylidenemethyl]benzamide has a molecular weight of 394.58 g/mol, XLogP of 5.08, 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-[(4-methylsulfanylphenyl)-piperidin-4-ylidenemethyl]benzamide is sourced from PubChem (CID 10692042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).