4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

C19H23N3O3S — CID 135269588

IUPAC4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESCC1CN(Cc2ccc(C(=O)NO)cc2)CC(C)N1C(=O)c1cccs1
InChIInChI=1S/C19H23N3O3S/c1-13-10-21(12-15-5-7-16(8-6-15)18(23)20-25)11-14(2)22(13)19(24)17-4-3-9-26-17/h3-9,13-14,25H,10-12H2,1-2H3,(H,20,23)
InChIKeyWSTPEHQLWFLDFZ-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.60
Rot. Bonds4

About 4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 135269588) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID135269588
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESCC1CN(Cc2ccc(C(=O)NO)cc2)CC(C)N1C(=O)c1cccs1
InChIInChI=1S/C19H23N3O3S/c1-13-10-21(12-15-5-7-16(8-6-15)18(23)20-25)11-14(2)22(13)19(24)17-4-3-9-26-17/h3-9,13-14,25H,10-12H2,1-2H3,(H,20,23)
InChIKeyWSTPEHQLWFLDFZ-UHFFFAOYSA-N
XLogP2.60
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[(3S,5R)-4-(2-chlorobenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367328
4-[[4-[4-(furan-2-yl)benzoyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269495
4-[[(3R,5S)-3,5-dimethyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367285
4-[[(3R,5S)-3,5-dimethyl-4-[3-(morpholine-4-carbonyl)benzoyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 166937642
4-[[4-[3-(furan-2-yl)benzoyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269531
4-[[(2S,6R)-2,6-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]benzoic acid
CID 135259823
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-(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
N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide
CID 144920710
4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269492

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide (CID 135269588) is 4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide is CC1CN(Cc2ccc(C(=O)NO)cc2)CC(C)N1C(=O)c1cccs1.
What is the InChIKey of 4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is WSTPEHQLWFLDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-10-21(12-15-5-7-16(8-6-15)18(23)20-25)11-14(2)22(13)19(24)17-4-3-9-26-17/h3-9,13-14,25H,10-12H2,1-2H3,(H,20,23).
What are the key properties of 4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 373.48 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 135269588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).