2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide

C11H19N3O — CID 80548330

IUPAC2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C11H19N3O/c1-4-5-13-10(15)11(2,3)14-8-6-12-7-9-14/h1,12H,5-9H2,2-3H3,(H,13,15)
InChIKeyRJJKDWQMXKKTIJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.58
Rot. Bonds3

About 2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide

2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide (PubChem CID 80548330) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
PubChem CID80548330
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C11H19N3O/c1-4-5-13-10(15)11(2,3)14-8-6-12-7-9-14/h1,12H,5-9H2,2-3H3,(H,13,15)
InChIKeyRJJKDWQMXKKTIJ-UHFFFAOYSA-N
XLogP-0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548594
2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide
CID 82505400
N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550084
N-(3-aminopropyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548800
N-hexyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548728
N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548764
N-(2,2-dimethylheptyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550578
2-methyl-2-piperazin-1-yl-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391006
2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide
CID 103287498
N-ethoxy-2-methyl-2-piperazin-1-ylpropanamide
CID 80549897

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide?
The IUPAC name of 2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide (CID 80548330) is 2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide?
The InChIKey is RJJKDWQMXKKTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-13-10(15)11(2,3)14-8-6-12-7-9-14/h1,12H,5-9H2,2-3H3,(H,13,15).
What are the key properties of 2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide?
2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide has a molecular weight of 209.29 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 80548330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).