2-methyl-N-piperazin-1-ylpropanamide

C8H17N3O — CID 58682974

IUPAC2-methyl-N-piperazin-1-ylpropanamide
SMILESCC(C)C(=O)NN1CCNCC1
InChIInChI=1S/C8H17N3O/c1-7(2)8(12)10-11-5-3-9-4-6-11/h7,9H,3-6H2,1-2H3,(H,10,12)
InChIKeyJLGIYTZGIXGPSQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.42
Rot. Bonds2

About 2-methyl-N-piperazin-1-ylpropanamide

2-methyl-N-piperazin-1-ylpropanamide (PubChem CID 58682974) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-N-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-piperazin-1-ylpropanamide
PubChem CID58682974
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-methyl-N-piperazin-1-ylpropanamide
SMILESCC(C)C(=O)NN1CCNCC1
InChIInChI=1S/C8H17N3O/c1-7(2)8(12)10-11-5-3-9-4-6-11/h7,9H,3-6H2,1-2H3,(H,10,12)
InChIKeyJLGIYTZGIXGPSQ-UHFFFAOYSA-N
XLogP-0.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-piperazin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-piperazin-1-ylpropanamide (CID 58682974) is 2-methyl-N-piperazin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-piperazin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-piperazin-1-ylpropanamide is CC(C)C(=O)NN1CCNCC1.
What is the InChIKey of 2-methyl-N-piperazin-1-ylpropanamide?
The InChIKey is JLGIYTZGIXGPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7(2)8(12)10-11-5-3-9-4-6-11/h7,9H,3-6H2,1-2H3,(H,10,12).
What are the key properties of 2-methyl-N-piperazin-1-ylpropanamide?
2-methyl-N-piperazin-1-ylpropanamide has a molecular weight of 171.24 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-piperazin-1-ylpropanamide is sourced from PubChem (CID 58682974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).