3-hydroxy-2-piperazin-1-ylbutanamide

C8H17N3O2 — CID 66898165

IUPAC3-hydroxy-2-piperazin-1-ylbutanamide
SMILESCC(O)C(C(N)=O)N1CCNCC1
InChIInChI=1S/C8H17N3O2/c1-6(12)7(8(9)13)11-4-2-10-3-5-11/h6-7,10,12H,2-5H2,1H3,(H2,9,13)
InChIKeySXRHYWGVORTTGE-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.87
Rot. Bonds3

About 3-hydroxy-2-piperazin-1-ylbutanamide

3-hydroxy-2-piperazin-1-ylbutanamide (PubChem CID 66898165) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-hydroxy-2-piperazin-1-ylbutanamide.

Molecular Properties

Compound Name3-hydroxy-2-piperazin-1-ylbutanamide
PubChem CID66898165
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name3-hydroxy-2-piperazin-1-ylbutanamide
SMILESCC(O)C(C(N)=O)N1CCNCC1
InChIInChI=1S/C8H17N3O2/c1-6(12)7(8(9)13)11-4-2-10-3-5-11/h6-7,10,12H,2-5H2,1H3,(H2,9,13)
InChIKeySXRHYWGVORTTGE-UHFFFAOYSA-N
XLogP-1.87
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-piperazin-1-ylbutanamide
CID 69091413
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431
3-phenyl-2-piperazin-1-ylbutanamide
CID 61307843
2,2-di(piperazin-1-yl)acetamide
CID 57104434
ethyl 3-methyl-2-piperazin-1-ylpentanoate
CID 61319359
(E)-but-2-enedioic acid;1-propan-2-ylpiperazine
CID 70108433
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
2-hydroxy-1-piperazin-1-ylpropane-1-sulfonic acid
CID 19008585
2-methylpropanamide;pyrrolidine
CID 174809960
4-methylpentan-2-yl 2-piperazin-1-ylpropanoate
CID 62310668
ethyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319156
methyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319155

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-piperazin-1-ylbutanamide?
The IUPAC name of 3-hydroxy-2-piperazin-1-ylbutanamide (CID 66898165) is 3-hydroxy-2-piperazin-1-ylbutanamide.
What is the SMILES notation for 3-hydroxy-2-piperazin-1-ylbutanamide?
The canonical SMILES for 3-hydroxy-2-piperazin-1-ylbutanamide is CC(O)C(C(N)=O)N1CCNCC1.
What is the InChIKey of 3-hydroxy-2-piperazin-1-ylbutanamide?
The InChIKey is SXRHYWGVORTTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6(12)7(8(9)13)11-4-2-10-3-5-11/h6-7,10,12H,2-5H2,1H3,(H2,9,13).
What are the key properties of 3-hydroxy-2-piperazin-1-ylbutanamide?
3-hydroxy-2-piperazin-1-ylbutanamide has a molecular weight of 187.24 g/mol, XLogP of -1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-piperazin-1-ylbutanamide is sourced from PubChem (CID 66898165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).