5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide

C11H23N5O — CID 83016765

IUPAC5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide
SMILESCC1CNC(C(=O)NN2CCN(C)CC2)CN1
InChIInChI=1S/C11H23N5O/c1-9-7-13-10(8-12-9)11(17)14-16-5-3-15(2)4-6-16/h9-10,12-13H,3-8H2,1-2H3,(H,14,17)
InChIKeyCRANSIAUWACINO-UHFFFAOYSA-N
MW241.34 g/mol
LogP-1.79
Rot. Bonds2

About 5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide

5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide (PubChem CID 83016765) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide
PubChem CID83016765
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC Name5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide
SMILESCC1CNC(C(=O)NN2CCN(C)CC2)CN1
InChIInChI=1S/C11H23N5O/c1-9-7-13-10(8-12-9)11(17)14-16-5-3-15(2)4-6-16/h9-10,12-13H,3-8H2,1-2H3,(H,14,17)
InChIKeyCRANSIAUWACINO-UHFFFAOYSA-N
XLogP-1.79
TPSA59.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908963
5-methyl-N-pentan-3-ylpiperazine-2-carboxamide
CID 63102564
methyl (2S,5S)-5-methylpiperazine-2-carboxylate
CID 124669231
N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide
CID 63102388
N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide
CID 63102938
5-methyl-N-(3-morpholin-4-ylpropyl)piperazine-2-carboxamide
CID 63102385
(5-methylpiperazin-2-yl)-piperidin-1-ylmethanone
CID 63103119
N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide
CID 107855875
N-[2-[ethyl(methyl)amino]ethyl]-5-methylpiperazine-2-carboxamide
CID 63102583
5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide
CID 103007240
N-(3-ethylpentan-2-yl)-5-methylpiperazine-2-carboxamide
CID 63837288
3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide
CID 83025000

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide (CID 83016765) is 5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide is CC1CNC(C(=O)NN2CCN(C)CC2)CN1.
What is the InChIKey of 5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide?
The InChIKey is CRANSIAUWACINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-9-7-13-10(8-12-9)11(17)14-16-5-3-15(2)4-6-16/h9-10,12-13H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide?
5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide has a molecular weight of 241.34 g/mol, XLogP of -1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide is sourced from PubChem (CID 83016765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).