N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide

C11H23N5O2 — CID 54861073

IUPACN-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide
SMILESCN1CCN(CCNC(=O)C(=O)NCCN)CC1
InChIInChI=1S/C11H23N5O2/c1-15-6-8-16(9-7-15)5-4-14-11(18)10(17)13-3-2-12/h2-9,12H2,1H3,(H,13,17)(H,14,18)
InChIKeyHYAOEMXETALDAK-UHFFFAOYSA-N
MW257.34 g/mol
LogP-2.58
Rot. Bonds5

About N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide

N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide (PubChem CID 54861073) has the molecular formula C11H23N5O2 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide
PubChem CID54861073
Molecular FormulaC11H23N5O2
Molecular Weight257.34 g/mol
Exact Mass257.19
IUPAC NameN-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide
SMILESCN1CCN(CCNC(=O)C(=O)NCCN)CC1
InChIInChI=1S/C11H23N5O2/c1-15-6-8-16(9-7-15)5-4-14-11(18)10(17)13-3-2-12/h2-9,12H2,1H3,(H,13,17)(H,14,18)
InChIKeyHYAOEMXETALDAK-UHFFFAOYSA-N
XLogP-2.58
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 5-2.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 117235833
bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane
CID 157343011
N-[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl iodide
CID 138462768
(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 59006454
3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride
CID 119901189
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043
ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 156869233
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]hexanamide
CID 54860791
N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide
CID 112724016

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide (CID 54861073) is N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide is CN1CCN(CCNC(=O)C(=O)NCCN)CC1.
What is the InChIKey of N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The InChIKey is HYAOEMXETALDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O2/c1-15-6-8-16(9-7-15)5-4-14-11(18)10(17)13-3-2-12/h2-9,12H2,1H3,(H,13,17)(H,14,18).
What are the key properties of N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide?
N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide has a molecular weight of 257.34 g/mol, XLogP of -2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide is sourced from PubChem (CID 54861073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).