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

C12H25N5O — CID 83026849

IUPACN-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NN1CCN(C)CC1)N1CCNCC1
InChIInChI=1S/C12H25N5O/c1-11(16-5-3-13-4-6-16)12(18)14-17-9-7-15(2)8-10-17/h11,13H,3-10H2,1-2H3,(H,14,18)
InChIKeyYSOPNOFODLFMQW-UHFFFAOYSA-N
MW255.37 g/mol
LogP-1.44
Rot. Bonds3

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

N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide (PubChem CID 83026849) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide
PubChem CID83026849
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC NameN-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NN1CCN(C)CC1)N1CCNCC1
InChIInChI=1S/C12H25N5O/c1-11(16-5-3-13-4-6-16)12(18)14-17-9-7-15(2)8-10-17/h11,13H,3-10H2,1-2H3,(H,14,18)
InChIKeyYSOPNOFODLFMQW-UHFFFAOYSA-N
XLogP-1.44
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide (CID 83026849) is N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide is CC(C(=O)NN1CCN(C)CC1)N1CCNCC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide?
The InChIKey is YSOPNOFODLFMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O/c1-11(16-5-3-13-4-6-16)12(18)14-17-9-7-15(2)8-10-17/h11,13H,3-10H2,1-2H3,(H,14,18).
What are the key properties of N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide?
N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide has a molecular weight of 255.37 g/mol, XLogP of -1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 83026849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).