4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

C19H31N3O2 — CID 135269492

IUPAC4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESCC(C)CCN1CC(C)N(Cc2ccc(C(=O)NO)cc2)C(C)C1
InChIInChI=1S/C19H31N3O2/c1-14(2)9-10-21-11-15(3)22(16(4)12-21)13-17-5-7-18(8-6-17)19(23)20-24/h5-8,14-16,24H,9-13H2,1-4H3,(H,20,23)
InChIKeyMHKHSMFMHWTPQB-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.75
Rot. Bonds6

About 4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 135269492) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID135269492
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESCC(C)CCN1CC(C)N(Cc2ccc(C(=O)NO)cc2)C(C)C1
InChIInChI=1S/C19H31N3O2/c1-14(2)9-10-21-11-15(3)22(16(4)12-21)13-17-5-7-18(8-6-17)19(23)20-24/h5-8,14-16,24H,9-13H2,1-4H3,(H,20,23)
InChIKeyMHKHSMFMHWTPQB-UHFFFAOYSA-N
XLogP2.75
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.75
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

methyl 4-[[(2S,6R)-2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]benzoate
CID 118367069
4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide
CID 135269533
4-[[2,6-dimethyl-4-(1-phenylethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269536
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-[[(3S,5R)-3,5-dimethyl-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367461
4-[[4-[[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 144920782
4-[[3,5-dimethyl-4-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269674
4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269852
4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367574
4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269624
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
4-[[4-[[2-(furan-2-yl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269550

Frequently Asked Questions

What is the IUPAC name of 4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide (CID 135269492) is 4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide is CC(C)CCN1CC(C)N(Cc2ccc(C(=O)NO)cc2)C(C)C1.
What is the InChIKey of 4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is MHKHSMFMHWTPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(2)9-10-21-11-15(3)22(16(4)12-21)13-17-5-7-18(8-6-17)19(23)20-24/h5-8,14-16,24H,9-13H2,1-4H3,(H,20,23).
What are the key properties of 4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 333.48 g/mol, XLogP of 2.75, 6 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-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 135269492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).