ethane;4-methyl-1-piperazin-1-ylpentan-1-one

C12H26N2O — CID 143763421

IUPACethane;4-methyl-1-piperazin-1-ylpentan-1-one
SMILESCC.CC(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O.C2H6/c1-9(2)3-4-10(13)12-7-5-11-6-8-12;1-2/h9,11H,3-8H2,1-2H3;1-2H3
InChIKeyGWBOVLHZZJRMCX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.88
Rot. Bonds3

About ethane;4-methyl-1-piperazin-1-ylpentan-1-one

ethane;4-methyl-1-piperazin-1-ylpentan-1-one (PubChem CID 143763421) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is ethane;4-methyl-1-piperazin-1-ylpentan-1-one.

Molecular Properties

Compound Nameethane;4-methyl-1-piperazin-1-ylpentan-1-one
PubChem CID143763421
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Nameethane;4-methyl-1-piperazin-1-ylpentan-1-one
SMILESCC.CC(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O.C2H6/c1-9(2)3-4-10(13)12-7-5-11-6-8-12;1-2/h9,11H,3-8H2,1-2H3;1-2H3
InChIKeyGWBOVLHZZJRMCX-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pentanamide
CID 43603175
1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one
CID 137433036
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one
CID 62544723
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
4-(4-hydroxyphenyl)-1-piperazin-1-ylpentan-1-one
CID 83930393
2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
CID 28709201
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
5-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 82848388
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119400363

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-piperazin-1-ylpentan-1-one?
The IUPAC name of ethane;4-methyl-1-piperazin-1-ylpentan-1-one (CID 143763421) is ethane;4-methyl-1-piperazin-1-ylpentan-1-one.
What is the SMILES notation for ethane;4-methyl-1-piperazin-1-ylpentan-1-one?
The canonical SMILES for ethane;4-methyl-1-piperazin-1-ylpentan-1-one is CC.CC(C)CCC(=O)N1CCNCC1.
What is the InChIKey of ethane;4-methyl-1-piperazin-1-ylpentan-1-one?
The InChIKey is GWBOVLHZZJRMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2H6/c1-9(2)3-4-10(13)12-7-5-11-6-8-12;1-2/h9,11H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-1-piperazin-1-ylpentan-1-one?
ethane;4-methyl-1-piperazin-1-ylpentan-1-one has a molecular weight of 214.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-piperazin-1-ylpentan-1-one is sourced from PubChem (CID 143763421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).