3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide

C11H23N3O — CID 63873110

IUPAC3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide
SMILESCC1CN(CCC(=O)N(C)C)CC(C)N1
InChIInChI=1S/C11H23N3O/c1-9-7-14(8-10(2)12-9)6-5-11(15)13(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyVQTXCVNPCJASRO-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.15
Rot. Bonds3

About 3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide

3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide (PubChem CID 63873110) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide
PubChem CID63873110
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide
SMILESCC1CN(CCC(=O)N(C)C)CC(C)N1
InChIInChI=1S/C11H23N3O/c1-9-7-14(8-10(2)12-9)6-5-11(15)13(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyVQTXCVNPCJASRO-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide (CID 63873110) is 3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide is CC1CN(CCC(=O)N(C)C)CC(C)N1.
What is the InChIKey of 3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is VQTXCVNPCJASRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9-7-14(8-10(2)12-9)6-5-11(15)13(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide?
3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 213.32 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperazin-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 63873110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).