2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride

C12H28Cl2N4O — CID 120828236

IUPAC2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride
SMILESCCN1CCN(CC(=O)NCC(C)NC)CC1.Cl.Cl
InChIInChI=1S/C12H26N4O.2ClH/c1-4-15-5-7-16(8-6-15)10-12(17)14-9-11(2)13-3;;/h11,13H,4-10H2,1-3H3,(H,14,17);2*1H
InChIKeyJLUFXOFLGMPUNJ-UHFFFAOYSA-N
MW315.29 g/mol
LogP0.19
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride

2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride (PubChem CID 120828236) has the molecular formula C12H28Cl2N4O and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride
PubChem CID120828236
Molecular FormulaC12H28Cl2N4O
Molecular Weight315.29 g/mol
Exact Mass314.16
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride
SMILESCCN1CCN(CC(=O)NCC(C)NC)CC1.Cl.Cl
InChIInChI=1S/C12H26N4O.2ClH/c1-4-15-5-7-16(8-6-15)10-12(17)14-9-11(2)13-3;;/h11,13H,4-10H2,1-3H3,(H,14,17);2*1H
InChIKeyJLUFXOFLGMPUNJ-UHFFFAOYSA-N
XLogP0.19
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid
CID 82041147
2-[4-(carboxymethyl)-10-ethyl-7-[2-(3-methylbutylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 144632161
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511
N-[2-(methylamino)propyl]-2-(tetrazol-1-yl)acetamide
CID 103512678
N-[2-(methylamino)propyl]pyrrolidine-1-carboxamide
CID 103512851
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43251325
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide
CID 119901708
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120827233
2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43253086
N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 69457989
2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
CID 131891688

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride (CID 120828236) is 2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride is CCN1CCN(CC(=O)NCC(C)NC)CC1.Cl.Cl.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride?
The InChIKey is JLUFXOFLGMPUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O.2ClH/c1-4-15-5-7-16(8-6-15)10-12(17)14-9-11(2)13-3;;/h11,13H,4-10H2,1-3H3,(H,14,17);2*1H.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride?
2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride has a molecular weight of 315.29 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[2-(methylamino)propyl]acetamide;dihydrochloride is sourced from PubChem (CID 120828236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).