2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide

C13H27N5O — CID 83015401

IUPAC2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide
SMILESCN1CCN(NC(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C13H27N5O/c1-13(2,17-6-4-14-5-7-17)12(19)15-18-10-8-16(3)9-11-18/h14H,4-11H2,1-3H3,(H,15,19)
InChIKeyPCUOYYIBPAFSIH-UHFFFAOYSA-N
MW269.39 g/mol
LogP-1.05
Rot. Bonds3

About 2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide

2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide (PubChem CID 83015401) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide
PubChem CID83015401
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC Name2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide
SMILESCN1CCN(NC(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C13H27N5O/c1-13(2,17-6-4-14-5-7-17)12(19)15-18-10-8-16(3)9-11-18/h14H,4-11H2,1-3H3,(H,15,19)
InChIKeyPCUOYYIBPAFSIH-UHFFFAOYSA-N
XLogP-1.05
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide (CID 83015401) is 2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide is CN1CCN(NC(=O)C(C)(C)N2CCNCC2)CC1.
What is the InChIKey of 2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide?
The InChIKey is PCUOYYIBPAFSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c1-13(2,17-6-4-14-5-7-17)12(19)15-18-10-8-16(3)9-11-18/h14H,4-11H2,1-3H3,(H,15,19).
What are the key properties of 2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide?
2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide has a molecular weight of 269.39 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 83015401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).