4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide

C16H25N3O2 — CID 135269533

IUPAC4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide
SMILESCCN1C(C)CN(Cc2ccc(C(=O)NO)cc2)CC1C
InChIInChI=1S/C16H25N3O2/c1-4-19-12(2)9-18(10-13(19)3)11-14-5-7-15(8-6-14)16(20)17-21/h5-8,12-13,21H,4,9-11H2,1-3H3,(H,17,20)
InChIKeyOMOHSBPPRJJEIN-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.72
Rot. Bonds4

About 4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide

4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide (PubChem CID 135269533) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide
PubChem CID135269533
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide
SMILESCCN1C(C)CN(Cc2ccc(C(=O)NO)cc2)CC1C
InChIInChI=1S/C16H25N3O2/c1-4-19-12(2)9-18(10-13(19)3)11-14-5-7-15(8-6-14)16(20)17-21/h5-8,12-13,21H,4,9-11H2,1-3H3,(H,17,20)
InChIKeyOMOHSBPPRJJEIN-UHFFFAOYSA-N
XLogP1.72
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.72
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

1-[4-[[(3S,5R)-4-ethyl-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-2-hydroxyethanone
CID 147523502
4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269624
4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269852
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-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269492
4-[[3,5-dimethyl-4-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269674
4-[[(3R,5S)-3,5-dimethyl-4-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367258
N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide
CID 118367551
4-[[(3S,5R)-4-(2-chlorobenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367328
N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide
CID 144920710
4-[[(2R,6S)-4-[[4-(4,4-dimethylcyclohexen-1-yl)phenyl]methyl]-2,6-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367574

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide (CID 135269533) is 4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide is CCN1C(C)CN(Cc2ccc(C(=O)NO)cc2)CC1C.
What is the InChIKey of 4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide?
The InChIKey is OMOHSBPPRJJEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-19-12(2)9-18(10-13(19)3)11-14-5-7-15(8-6-14)16(20)17-21/h5-8,12-13,21H,4,9-11H2,1-3H3,(H,17,20).
What are the key properties of 4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide?
4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide has a molecular weight of 291.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 135269533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).