4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

C29H39N3O2 — CID 118367574

IUPAC4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESC[C@@H]1CN(Cc2ccc(C3=CCC(C)(C)CC3)cc2)C[C@H](C)N1Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C29H39N3O2/c1-21-17-31(18-22(2)32(21)20-24-7-11-27(12-8-24)28(33)30-34)19-23-5-9-25(10-6-23)26-13-15-29(3,4)16-14-26/h5-13,21-22,34H,14-20H2,1-4H3,(H,30,33)/t21-,22+
InChIKeyNFMFJKWDKYKHHF-SZPZYZBQSA-N
MW461.65 g/mol
LogP5.49
Rot. Bonds6

About 4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 118367574) has the molecular formula C29H39N3O2 and a molecular weight of 461.65 g/mol. Its IUPAC name is 4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID118367574
Molecular FormulaC29H39N3O2
Molecular Weight461.65 g/mol
Exact Mass461.30
IUPAC Name4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESC[C@@H]1CN(Cc2ccc(C3=CCC(C)(C)CC3)cc2)C[C@H](C)N1Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C29H39N3O2/c1-21-17-31(18-22(2)32(21)20-24-7-11-27(12-8-24)28(33)30-34)19-23-5-9-25(10-6-23)26-13-15-29(3,4)16-14-26/h5-13,21-22,34H,14-20H2,1-4H3,(H,30,33)/t21-,22+
InChIKeyNFMFJKWDKYKHHF-SZPZYZBQSA-N
XLogP5.49
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 55.49
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'}

Analyze 4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide 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-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide
CID 135269533
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-[[(3S,5R)-3,5-dimethyl-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367461
4-[[4-[[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269704
4-[[3,5-dimethyl-4-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269674
2-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-[(3R,5S)-4-[[4-(2-hydroxyacetyl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]ethanone
CID 157196546
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-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269624
4-[[4-[[3-[[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269716
4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269852
4-[[(3R,5S)-3,5-dimethyl-4-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367258

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide (CID 118367574) is 4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide is C[C@@H]1CN(Cc2ccc(C3=CCC(C)(C)CC3)cc2)C[C@H](C)N1Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is NFMFJKWDKYKHHF-SZPZYZBQSA-N. The full InChI is InChI=1S/C29H39N3O2/c1-21-17-31(18-22(2)32(21)20-24-7-11-27(12-8-24)28(33)30-34)19-23-5-9-25(10-6-23)26-13-15-29(3,4)16-14-26/h5-13,21-22,34H,14-20H2,1-4H3,(H,30,33)/t21-,22+.
What are the key properties of 4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide?
4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 461.65 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 118367574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).