2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone

C13H28N4O — CID 28580194

IUPAC2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCN(CC)CCNCC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H28N4O/c1-4-16(5-2)7-6-14-12-13(18)17-10-8-15(3)9-11-17/h14H,4-12H2,1-3H3
InChIKeyWUHZMKNTMYGRKI-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.31
Rot. Bonds7

About 2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone

2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 28580194) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID28580194
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCN(CC)CCNCC(=O)N1CCN(C)CC1
InChIInChI=1S/C13H28N4O/c1-4-16(5-2)7-6-14-12-13(18)17-10-8-15(3)9-11-17/h14H,4-12H2,1-3H3
InChIKeyWUHZMKNTMYGRKI-UHFFFAOYSA-N
XLogP-0.31
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
CID 54934696
2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 62273146
2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 103604972
2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79281462
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110422402
1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride
CID 142209070
1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone
CID 106291879
2-[2-(diethylamino)ethylamino]-4-oxo-4-pyrrolidin-1-ylbutanenitrile
CID 66432333
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 127518835
3-(diethylamino)propyl 4-methylpiperazine-1-carboxylate
CID 515576
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 63298948

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone (CID 28580194) is 2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone is CCN(CC)CCNCC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is WUHZMKNTMYGRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-16(5-2)7-6-14-12-13(18)17-10-8-15(3)9-11-17/h14H,4-12H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 256.39 g/mol, XLogP of -0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 28580194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).