4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

C17H17N3O4S — CID 44571332

IUPAC4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)CNC(=O)[C@H]2Cc2cccs2)cc1
InChIInChI=1S/C17H17N3O4S/c21-15-9-18-17(23)14(8-13-2-1-7-25-13)20(15)10-11-3-5-12(6-4-11)16(22)19-24/h1-7,14,24H,8-10H2,(H,18,23)(H,19,22)/t14-/m1/s1
InChIKeyMLRJDCCBCWNZMV-CQSZACIVSA-N
MW359.41 g/mol
LogP0.94
Rot. Bonds5

About 4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 44571332) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID44571332
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)CNC(=O)[C@H]2Cc2cccs2)cc1
InChIInChI=1S/C17H17N3O4S/c21-15-9-18-17(23)14(8-13-2-1-7-25-13)20(15)10-11-3-5-12(6-4-11)16(22)19-24/h1-7,14,24H,8-10H2,(H,18,23)(H,19,22)/t14-/m1/s1
InChIKeyMLRJDCCBCWNZMV-CQSZACIVSA-N
XLogP0.94
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.94
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide (CID 44571332) is 4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2C(=O)CNC(=O)[C@H]2Cc2cccs2)cc1.
What is the InChIKey of 4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is MLRJDCCBCWNZMV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N3O4S/c21-15-9-18-17(23)14(8-13-2-1-7-25-13)20(15)10-11-3-5-12(6-4-11)16(22)19-24/h1-7,14,24H,8-10H2,(H,18,23)(H,19,22)/t14-/m1/s1.
What are the key properties of 4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 359.41 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-3,6-dioxo-2-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 44571332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).