2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide

C10H21N5O2 — CID 91584743

IUPAC2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide
SMILESCNN(C=O)CCN1CCN(CC(N)=O)CC1
InChIInChI=1S/C10H21N5O2/c1-12-15(9-16)7-6-13-2-4-14(5-3-13)8-10(11)17/h9,12H,2-8H2,1H3,(H2,11,17)
InChIKeyMMSZUSNYXRTEEK-UHFFFAOYSA-N
MW243.31 g/mol
LogP-2.32
Rot. Bonds7

About 2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide

2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide (PubChem CID 91584743) has the molecular formula C10H21N5O2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide
PubChem CID91584743
Molecular FormulaC10H21N5O2
Molecular Weight243.31 g/mol
Exact Mass243.17
IUPAC Name2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide
SMILESCNN(C=O)CCN1CCN(CC(N)=O)CC1
InChIInChI=1S/C10H21N5O2/c1-12-15(9-16)7-6-13-2-4-14(5-3-13)8-10(11)17/h9,12H,2-8H2,1H3,(H2,11,17)
InChIKeyMMSZUSNYXRTEEK-UHFFFAOYSA-N
XLogP-2.32
TPSA81.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-2.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide (CID 91584743) is 2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide is CNN(C=O)CCN1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide?
The InChIKey is MMSZUSNYXRTEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O2/c1-12-15(9-16)7-6-13-2-4-14(5-3-13)8-10(11)17/h9,12H,2-8H2,1H3,(H2,11,17).
What are the key properties of 2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide?
2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide has a molecular weight of 243.31 g/mol, XLogP of -2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[formyl(methylamino)amino]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 91584743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).