2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide

C13H27N3O2 — CID 125435468

IUPAC2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide
SMILESCCOCC(=O)NCC[C@@H](C)N1CCN(C)CC1
InChIInChI=1S/C13H27N3O2/c1-4-18-11-13(17)14-6-5-12(2)16-9-7-15(3)8-10-16/h12H,4-11H2,1-3H3,(H,14,17)/t12-/m1/s1
InChIKeyHQZHRGZLVIJNSL-GFCCVEGCSA-N
MW257.38 g/mol
LogP0.17
Rot. Bonds7

About 2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide

2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide (PubChem CID 125435468) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide
PubChem CID125435468
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide
SMILESCCOCC(=O)NCC[C@@H](C)N1CCN(C)CC1
InChIInChI=1S/C13H27N3O2/c1-4-18-11-13(17)14-6-5-12(2)16-9-7-15(3)8-10-16/h12H,4-11H2,1-3H3,(H,14,17)/t12-/m1/s1
InChIKeyHQZHRGZLVIJNSL-GFCCVEGCSA-N
XLogP0.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide (CID 125435468) is 2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide is CCOCC(=O)NCC[C@@H](C)N1CCN(C)CC1.
What is the InChIKey of 2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide?
The InChIKey is HQZHRGZLVIJNSL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-18-11-13(17)14-6-5-12(2)16-9-7-15(3)8-10-16/h12H,4-11H2,1-3H3,(H,14,17)/t12-/m1/s1.
What are the key properties of 2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide?
2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide is sourced from PubChem (CID 125435468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).