4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

C19H29N3O3 — CID 135269624

IUPAC4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESCC1CN(Cc2ccc(C(=O)NO)cc2)CC(C)N1C(=O)C(C)(C)C
InChIInChI=1S/C19H29N3O3/c1-13-10-21(11-14(2)22(13)18(24)19(3,4)5)12-15-6-8-16(9-7-15)17(23)20-25/h6-9,13-14,25H,10-12H2,1-5H3,(H,20,23)
InChIKeyVVLXCMCXMMPQMS-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.27
Rot. Bonds3

About 4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide

4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 135269624) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID135269624
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESCC1CN(Cc2ccc(C(=O)NO)cc2)CC(C)N1C(=O)C(C)(C)C
InChIInChI=1S/C19H29N3O3/c1-13-10-21(11-14(2)22(13)18(24)19(3,4)5)12-15-6-8-16(9-7-15)17(23)20-25/h6-9,13-14,25H,10-12H2,1-5H3,(H,20,23)
InChIKeyVVLXCMCXMMPQMS-UHFFFAOYSA-N
XLogP2.27
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.27
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-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide
CID 135269533
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
4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269588
4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269852
4-[[4-[4-(furan-2-yl)benzoyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269495
4-[(4-methoxycarbonylphenyl)methyl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 151012323
4-[[(3R,5S)-3,5-dimethyl-4-[3-(morpholine-4-carbonyl)benzoyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 166937642
4-[[(3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118374041
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-[[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269716

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide (CID 135269624) is 4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide is CC1CN(Cc2ccc(C(=O)NO)cc2)CC(C)N1C(=O)C(C)(C)C.
What is the InChIKey of 4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is VVLXCMCXMMPQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-10-21(11-14(2)22(13)18(24)19(3,4)5)12-15-6-8-16(9-7-15)17(23)20-25/h6-9,13-14,25H,10-12H2,1-5H3,(H,20,23).
What are the key properties of 4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide?
4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 347.46 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 135269624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).