2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide

C13H27N3O — CID 63874454

IUPAC2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1CC(C)NC(C)C1
InChIInChI=1S/C13H27N3O/c1-6-15(7-2)13(17)12(5)16-8-10(3)14-11(4)9-16/h10-12,14H,6-9H2,1-5H3
InChIKeyDJPXDDGWVXIGMS-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds4

About 2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide

2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide (PubChem CID 63874454) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide
PubChem CID63874454
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1CC(C)NC(C)C1
InChIInChI=1S/C13H27N3O/c1-6-15(7-2)13(17)12(5)16-8-10(3)14-11(4)9-16/h10-12,14H,6-9H2,1-5H3
InChIKeyDJPXDDGWVXIGMS-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide (CID 63874454) is 2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N1CC(C)NC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide?
The InChIKey is DJPXDDGWVXIGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-6-15(7-2)13(17)12(5)16-8-10(3)14-11(4)9-16/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide?
2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide is sourced from PubChem (CID 63874454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).