3-methoxy-2-piperazin-1-ylbutanamide

C9H19N3O2 — CID 69091413

IUPAC3-methoxy-2-piperazin-1-ylbutanamide
SMILESCOC(C)C(C(N)=O)N1CCNCC1
InChIInChI=1S/C9H19N3O2/c1-7(14-2)8(9(10)13)12-5-3-11-4-6-12/h7-8,11H,3-6H2,1-2H3,(H2,10,13)
InChIKeyKIKCLQBWWPJJLN-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.22
Rot. Bonds4

About 3-methoxy-2-piperazin-1-ylbutanamide

3-methoxy-2-piperazin-1-ylbutanamide (PubChem CID 69091413) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-methoxy-2-piperazin-1-ylbutanamide.

Molecular Properties

Compound Name3-methoxy-2-piperazin-1-ylbutanamide
PubChem CID69091413
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-methoxy-2-piperazin-1-ylbutanamide
SMILESCOC(C)C(C(N)=O)N1CCNCC1
InChIInChI=1S/C9H19N3O2/c1-7(14-2)8(9(10)13)12-5-3-11-4-6-12/h7-8,11H,3-6H2,1-2H3,(H2,10,13)
InChIKeyKIKCLQBWWPJJLN-UHFFFAOYSA-N
XLogP-1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-piperazin-1-ylbutanamide
CID 66898165
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431
3-phenyl-2-piperazin-1-ylbutanamide
CID 61307843
2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 54891952
2,2-di(piperazin-1-yl)acetamide
CID 57104434
ethyl 3-methyl-2-piperazin-1-ylpentanoate
CID 61319359
methyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319155
methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate
CID 54960724
2-(1,4-diazepan-1-yl)-4,4-dimethoxybutanamide
CID 66268249
2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide
CID 60995776
methoxy(piperazin-1-yl)methanol
CID 154545795
ethyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319156

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-piperazin-1-ylbutanamide?
The IUPAC name of 3-methoxy-2-piperazin-1-ylbutanamide (CID 69091413) is 3-methoxy-2-piperazin-1-ylbutanamide.
What is the SMILES notation for 3-methoxy-2-piperazin-1-ylbutanamide?
The canonical SMILES for 3-methoxy-2-piperazin-1-ylbutanamide is COC(C)C(C(N)=O)N1CCNCC1.
What is the InChIKey of 3-methoxy-2-piperazin-1-ylbutanamide?
The InChIKey is KIKCLQBWWPJJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(14-2)8(9(10)13)12-5-3-11-4-6-12/h7-8,11H,3-6H2,1-2H3,(H2,10,13).
What are the key properties of 3-methoxy-2-piperazin-1-ylbutanamide?
3-methoxy-2-piperazin-1-ylbutanamide has a molecular weight of 201.27 g/mol, XLogP of -1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-piperazin-1-ylbutanamide is sourced from PubChem (CID 69091413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).