2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide

C15H24N4O2 — CID 115546282

IUPAC2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide
SMILESCC(C)(O)CN1CCN(c2cccc(C(N)=O)c2N)CC1
InChIInChI=1S/C15H24N4O2/c1-15(2,21)10-18-6-8-19(9-7-18)12-5-3-4-11(13(12)16)14(17)20/h3-5,21H,6-10,16H2,1-2H3,(H2,17,20)
InChIKeyMSBMYBMETWSOIA-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.26
Rot. Bonds4

About 2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide

2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide (PubChem CID 115546282) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide
PubChem CID115546282
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide
SMILESCC(C)(O)CN1CCN(c2cccc(C(N)=O)c2N)CC1
InChIInChI=1S/C15H24N4O2/c1-15(2,21)10-18-6-8-19(9-7-18)12-5-3-4-11(13(12)16)14(17)20/h3-5,21H,6-10,16H2,1-2H3,(H2,17,20)
InChIKeyMSBMYBMETWSOIA-UHFFFAOYSA-N
XLogP0.26
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide?
The IUPAC name of 2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide (CID 115546282) is 2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide?
The canonical SMILES for 2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide is CC(C)(O)CN1CCN(c2cccc(C(N)=O)c2N)CC1.
What is the InChIKey of 2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide?
The InChIKey is MSBMYBMETWSOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,21)10-18-6-8-19(9-7-18)12-5-3-4-11(13(12)16)14(17)20/h3-5,21H,6-10,16H2,1-2H3,(H2,17,20).
What are the key properties of 2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide?
2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 115546282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).