2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone

C15H28N5O2- — CID 123763074

IUPAC2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILES[CH2-]N(CC(=O)N1CCN(C)CC1)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C15H28N5O2/c1-16-4-8-19(9-5-16)14(21)12-18(3)13-15(22)20-10-6-17(2)7-11-20/h3-13H2,1-2H3/q-1
InChIKeyFUVAIIOTRQDAGX-UHFFFAOYSA-N
MW310.42 g/mol
LogP-1.37
Rot. Bonds4

About 2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone

2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 123763074) has the molecular formula C15H28N5O2- and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID123763074
Molecular FormulaC15H28N5O2-
Molecular Weight310.42 g/mol
Exact Mass310.22
IUPAC Name2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILES[CH2-]N(CC(=O)N1CCN(C)CC1)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C15H28N5O2/c1-16-4-8-19(9-5-16)14(21)12-18(3)13-15(22)20-10-6-17(2)7-11-20/h3-13H2,1-2H3/q-1
InChIKeyFUVAIIOTRQDAGX-UHFFFAOYSA-N
XLogP-1.37
TPSA50.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate
CID 62953322
2-methyl-3-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007832
N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113153043
N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide
CID 130390843
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148449
2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 61348571
N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113158629
2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123375
2-bromo-1-(4-methylpiperazin-1-yl)ethanone;chloromethane
CID 161165311
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 62009786
2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 102875219

Frequently Asked Questions

What is the IUPAC name of 2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 123763074) is 2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone is [CH2-]N(CC(=O)N1CCN(C)CC1)CC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is FUVAIIOTRQDAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N5O2/c1-16-4-8-19(9-5-16)14(21)12-18(3)13-15(22)20-10-6-17(2)7-11-20/h3-13H2,1-2H3/q-1.
What are the key properties of 2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 310.42 g/mol, XLogP of -1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 123763074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).