N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide

C18H40N8O2 — CID 157209185

IUPACN-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NCCN)CC1.CN1CCN(CC(=O)NCCN)CC1
InChIInChI=1S/2C9H20N4O/c2*1-12-4-6-13(7-5-12)8-9(14)11-3-2-10/h2*2-8,10H2,1H3,(H,11,14)
InChIKeyARRSTWVYBJELOM-UHFFFAOYSA-N
MW400.57 g/mol
LogP-3.38
Rot. Bonds8

About N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide

N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 157209185) has the molecular formula C18H40N8O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID157209185
Molecular FormulaC18H40N8O2
Molecular Weight400.57 g/mol
Exact Mass400.33
IUPAC NameN-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NCCN)CC1.CN1CCN(CC(=O)NCCN)CC1
InChIInChI=1S/2C9H20N4O/c2*1-12-4-6-13(7-5-12)8-9(14)11-3-2-10/h2*2-8,10H2,1H3,(H,11,14)
InChIKeyARRSTWVYBJELOM-UHFFFAOYSA-N
XLogP-3.38
TPSA123.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 5-3.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(2R,3S)-3-(3-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 166630060
4-[3-(3-Oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 132047299
N,N'-Ethylenebis-1-piperidineacetamide
CID 2920518
Oxamide, N-methyl-N'-[2-(4-piperazinyl)ethyl]-
CID 567248
1,7-Bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane
CID 393890
1,1'-Ethylenebis(3,3,5,5-tetramethylpiperazinone)
CID 116979
Piperazinyldiketone
CID 13750373
(+/-)-1,2-Di(dioxopiperazin-1-yl)propane
CID 23036702
2-[4,7-bis[2-(ethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-ethylacetamide
CID 58987160
1,4,7,10-Tetraazabicyclo[8.2.2]tetradecane-11,12-dione
CID 10799267
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N,N-diethylacetamide
CID 91063668
Bis(1,8,12-triaza-5-azoniabicyclo[10.2.2]hexadecan-13-one);dichloride;trihydrate
CID 139089434

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 157209185) is N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)NCCN)CC1.CN1CCN(CC(=O)NCCN)CC1.
What is the InChIKey of N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is ARRSTWVYBJELOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H20N4O/c2*1-12-4-6-13(7-5-12)8-9(14)11-3-2-10/h2*2-8,10H2,1H3,(H,11,14).
What are the key properties of N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 400.57 g/mol, XLogP of -3.38, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 157209185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).