ethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one

C15H30N2O2 — CID 169228836

IUPACethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one
SMILESCC.CCC(=O)N1CCN(CC2(COC)CC2)CC1
InChIInChI=1S/C13H24N2O2.C2H6/c1-3-12(16)15-8-6-14(7-9-15)10-13(4-5-13)11-17-2;1-2/h3-11H2,1-2H3;1-2H3
InChIKeyHTUSOFGKSUAVEE-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.99
Rot. Bonds5

About ethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one

ethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 169228836) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Nameethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one
PubChem CID169228836
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one
SMILESCC.CCC(=O)N1CCN(CC2(COC)CC2)CC1
InChIInChI=1S/C13H24N2O2.C2H6/c1-3-12(16)15-8-6-14(7-9-15)10-13(4-5-13)11-17-2;1-2/h3-11H2,1-2H3;1-2H3
InChIKeyHTUSOFGKSUAVEE-UHFFFAOYSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
CID 172588282
1-[4-(3-Methoxypropyl)piperazin-1-yl]propan-1-one
CID 53679494
1-[4-(3-Methoxypropyl)piperazin-1-yl]butan-1-one
CID 54130006
Tert-butyl 4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazine-1-carboxylate
CID 66696083
(1-Methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 67569223
1-[4-(3-Methoxypropyl)piperazin-1-yl]-2-methylpropan-1-one
CID 68307515
1-[4-(Cyclopropanecarbonyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108536663
1-[4-(3-Methoxypropyl)piperazin-1-yl]-3-methylbutan-1-one
CID 113073327
[1-(Hydroxymethyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 117564295
1-[4-[1-(Hydroxymethyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 117564298
[1-(Methoxymethyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 124199968
3-Methoxy-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 124200307

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of ethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one (CID 169228836) is ethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for ethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for ethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one is CC.CCC(=O)N1CCN(CC2(COC)CC2)CC1.
What is the InChIKey of ethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is HTUSOFGKSUAVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.C2H6/c1-3-12(16)15-8-6-14(7-9-15)10-13(4-5-13)11-17-2;1-2/h3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one?
ethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 270.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[[1-(methoxymethyl)cyclopropyl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 169228836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).