2,2-dimethyl-N-piperazin-1-ylpropanamide

C9H19N3O — CID 54294992

IUPAC2,2-dimethyl-N-piperazin-1-ylpropanamide
SMILESCC(C)(C)C(=O)NN1CCNCC1
InChIInChI=1S/C9H19N3O/c1-9(2,3)8(13)11-12-6-4-10-5-7-12/h10H,4-7H2,1-3H3,(H,11,13)
InChIKeySAEIBGBPPBSWDZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.03
Rot. Bonds1

About 2,2-dimethyl-N-piperazin-1-ylpropanamide

2,2-dimethyl-N-piperazin-1-ylpropanamide (PubChem CID 54294992) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-piperazin-1-ylpropanamide
PubChem CID54294992
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2,2-dimethyl-N-piperazin-1-ylpropanamide
SMILESCC(C)(C)C(=O)NN1CCNCC1
InChIInChI=1S/C9H19N3O/c1-9(2,3)8(13)11-12-6-4-10-5-7-12/h10H,4-7H2,1-3H3,(H,11,13)
InChIKeySAEIBGBPPBSWDZ-UHFFFAOYSA-N
XLogP-0.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-piperazin-1-ylpropanamide?
The IUPAC name of 2,2-dimethyl-N-piperazin-1-ylpropanamide (CID 54294992) is 2,2-dimethyl-N-piperazin-1-ylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-piperazin-1-ylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-piperazin-1-ylpropanamide is CC(C)(C)C(=O)NN1CCNCC1.
What is the InChIKey of 2,2-dimethyl-N-piperazin-1-ylpropanamide?
The InChIKey is SAEIBGBPPBSWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(2,3)8(13)11-12-6-4-10-5-7-12/h10H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 2,2-dimethyl-N-piperazin-1-ylpropanamide?
2,2-dimethyl-N-piperazin-1-ylpropanamide has a molecular weight of 185.27 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-piperazin-1-ylpropanamide is sourced from PubChem (CID 54294992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).