4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide

C30H34N2O2 — CID 10226133

IUPAC4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccccc3)CC2)c2cccc(O)c2)cc1
InChIInChI=1S/C30H34N2O2/c1-3-32(4-2)30(34)26-15-13-24(14-16-26)29(27-11-8-12-28(33)21-27)25-17-19-31(20-18-25)22-23-9-6-5-7-10-23/h5-16,21,33H,3-4,17-20,22H2,1-2H3
InChIKeyLTTWBNDEDOFVCV-UHFFFAOYSA-N
MW454.61 g/mol
LogP5.97
Rot. Bonds7

About 4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide

4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide (PubChem CID 10226133) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
PubChem CID10226133
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccccc3)CC2)c2cccc(O)c2)cc1
InChIInChI=1S/C30H34N2O2/c1-3-32(4-2)30(34)26-15-13-24(14-16-26)29(27-11-8-12-28(33)21-27)25-17-19-31(20-18-25)22-23-9-6-5-7-10-23/h5-16,21,33H,3-4,17-20,22H2,1-2H3
InChIKeyLTTWBNDEDOFVCV-UHFFFAOYSA-N
XLogP5.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide (CID 10226133) is 4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccccc3)CC2)c2cccc(O)c2)cc1.
What is the InChIKey of 4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide?
The InChIKey is LTTWBNDEDOFVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-3-32(4-2)30(34)26-15-13-24(14-16-26)29(27-11-8-12-28(33)21-27)25-17-19-31(20-18-25)22-23-9-6-5-7-10-23/h5-16,21,33H,3-4,17-20,22H2,1-2H3.
What are the key properties of 4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide?
4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide has a molecular weight of 454.61 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 10226133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).