4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C27H38N4O2 — CID 67679298

IUPAC4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(COc3cccc(N4CCNCC4)c3)cc2)CC(C)(C)N1
InChIInChI=1S/C27H38N4O2/c1-26(2)17-22(18-27(3,4)30-26)29-25(32)21-10-8-20(9-11-21)19-33-24-7-5-6-23(16-24)31-14-12-28-13-15-31/h5-11,16,22,28,30H,12-15,17-19H2,1-4H3,(H,29,32)
InChIKeyXYJVKMCPXDCLTA-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.71
Rot. Bonds6

About 4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 67679298) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID67679298
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(COc3cccc(N4CCNCC4)c3)cc2)CC(C)(C)N1
InChIInChI=1S/C27H38N4O2/c1-26(2)17-22(18-27(3,4)30-26)29-25(32)21-10-8-20(9-11-21)19-33-24-7-5-6-23(16-24)31-14-12-28-13-15-31/h5-11,16,22,28,30H,12-15,17-19H2,1-4H3,(H,29,32)
InChIKeyXYJVKMCPXDCLTA-UHFFFAOYSA-N
XLogP3.71
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344870
4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344867
3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679171
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344445
N-cyclohexyl-3-piperazin-1-ylbenzamide
CID 28748940
4-(pyrrolidin-3-ylmethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 166622779
5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 56740922
2-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 35945918
4-(4-methylhexa-2,4-dienoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 123892076
1-(3-ethoxyphenyl)piperazine
CID 14519634
3-[(4-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427852

Frequently Asked Questions

What is the IUPAC name of 4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 67679298) is 4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(COc3cccc(N4CCNCC4)c3)cc2)CC(C)(C)N1.
What is the InChIKey of 4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is XYJVKMCPXDCLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-26(2)17-22(18-27(3,4)30-26)29-25(32)21-10-8-20(9-11-21)19-33-24-7-5-6-23(16-24)31-14-12-28-13-15-31/h5-11,16,22,28,30H,12-15,17-19H2,1-4H3,(H,29,32).
What are the key properties of 4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 450.63 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 67679298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).