2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone

C14H27N3O2 — CID 102633181

IUPAC2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone
SMILESCNC1CCCCC1OCC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H27N3O2/c1-15-12-5-3-4-6-13(12)19-11-14(18)17-9-7-16(2)8-10-17/h12-13,15H,3-11H2,1-2H3
InChIKeyNLJVKGBSWAUEMV-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.31
Rot. Bonds4

About 2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone

2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 102633181) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID102633181
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone
SMILESCNC1CCCCC1OCC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H27N3O2/c1-15-12-5-3-4-6-13(12)19-11-14(18)17-9-7-16(2)8-10-17/h12-13,15H,3-11H2,1-2H3
InChIKeyNLJVKGBSWAUEMV-UHFFFAOYSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone (CID 102633181) is 2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone is CNC1CCCCC1OCC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is NLJVKGBSWAUEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-15-12-5-3-4-6-13(12)19-11-14(18)17-9-7-16(2)8-10-17/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone?
2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 269.39 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)cyclohexyl]oxy-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 102633181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).