4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

C22H29N3O2 — CID 135269536

IUPAC4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESCC(c1ccccc1)N1CC(C)N(Cc2ccc(C(=O)NO)cc2)C(C)C1
InChIInChI=1S/C22H29N3O2/c1-16-13-24(18(3)20-7-5-4-6-8-20)14-17(2)25(16)15-19-9-11-21(12-10-19)22(26)23-27/h4-12,16-18,27H,13-15H2,1-3H3,(H,23,26)
InChIKeyYUNGIEUDKVLOSL-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.46
Rot. Bonds5

About 4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 135269536) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID135269536
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESCC(c1ccccc1)N1CC(C)N(Cc2ccc(C(=O)NO)cc2)C(C)C1
InChIInChI=1S/C22H29N3O2/c1-16-13-24(18(3)20-7-5-4-6-8-20)14-17(2)25(16)15-19-9-11-21(12-10-19)22(26)23-27/h4-12,16-18,27H,13-15H2,1-3H3,(H,23,26)
InChIKeyYUNGIEUDKVLOSL-UHFFFAOYSA-N
XLogP3.46
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269492
4-[[4-[[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 144920782
4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide
CID 135269533
4-[[(3S,5R)-3,5-dimethyl-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367461
4-[[3,5-dimethyl-4-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269674
2-[[(3R,5S)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxy-1-benzofuran-5-carboxamide
CID 118367413
(3S,5R)-4-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 118367246
4-[[(3R,5S)-3,5-dimethyl-4-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367258
4-[[(3S,5R)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259792
N-hydroxy-4-[[(3R,5S)-4-[5-[4-[[(3R,5S)-4-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-methylanilino]-3-methylpentyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide
CID 144920738
4-[[(2S,6R)-2,6-dimethyl-4-[(3-methylphenyl)carbamothioyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367245
4-[[(3S,5R)-3,5-dimethyl-4-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367172

Frequently Asked Questions

What is the IUPAC name of 4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide (CID 135269536) is 4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide is CC(c1ccccc1)N1CC(C)N(Cc2ccc(C(=O)NO)cc2)C(C)C1.
What is the InChIKey of 4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is YUNGIEUDKVLOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-13-24(18(3)20-7-5-4-6-8-20)14-17(2)25(16)15-19-9-11-21(12-10-19)22(26)23-27/h4-12,16-18,27H,13-15H2,1-3H3,(H,23,26).
What are the key properties of 4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 367.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 135269536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).