N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide

C12H22N4O2 — CID 120703373

IUPACN-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide
SMILESCNCC(=O)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C12H22N4O2/c1-13-8-12(18)16-6-4-15(5-7-16)9-11(17)14-10-2-3-10/h10,13H,2-9H2,1H3,(H,14,17)
InChIKeyWQRCMGYREAFVEE-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.37
Rot. Bonds5

About N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide (PubChem CID 120703373) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide
PubChem CID120703373
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide
SMILESCNCC(=O)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C12H22N4O2/c1-13-8-12(18)16-6-4-15(5-7-16)9-11(17)14-10-2-3-10/h10,13H,2-9H2,1H3,(H,14,17)
InChIKeyWQRCMGYREAFVEE-UHFFFAOYSA-N
XLogP-1.37
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide (CID 120703373) is N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide is CNCC(=O)N1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide?
The InChIKey is WQRCMGYREAFVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-13-8-12(18)16-6-4-15(5-7-16)9-11(17)14-10-2-3-10/h10,13H,2-9H2,1H3,(H,14,17).
What are the key properties of N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide has a molecular weight of 254.33 g/mol, XLogP of -1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 120703373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).