2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone

C12H22N2O2 — CID 103517340

IUPAC2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOC1(CC(=O)N2CCN(C)CC2)CCC1
InChIInChI=1S/C12H22N2O2/c1-13-6-8-14(9-7-13)11(15)10-12(16-2)4-3-5-12/h3-10H2,1-2H3
InChIKeyMNWXQCNHKRMAJO-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.72
Rot. Bonds3

About 2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone

2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 103517340) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID103517340
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOC1(CC(=O)N2CCN(C)CC2)CCC1
InChIInChI=1S/C12H22N2O2/c1-13-6-8-14(9-7-13)11(15)10-12(16-2)4-3-5-12/h3-10H2,1-2H3
InChIKeyMNWXQCNHKRMAJO-UHFFFAOYSA-N
XLogP0.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone (CID 103517340) is 2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone is COC1(CC(=O)N2CCN(C)CC2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is MNWXQCNHKRMAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-6-8-14(9-7-13)11(15)10-12(16-2)4-3-5-12/h3-10H2,1-2H3.
What are the key properties of 2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 226.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 103517340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).