3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one

C12H22N2O2 — CID 119402493

IUPAC3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC1CCC(CCC(=O)N2CCNCC2)O1
InChIInChI=1S/C12H22N2O2/c1-10-2-3-11(16-10)4-5-12(15)14-8-6-13-7-9-14/h10-11,13H,2-9H2,1H3
InChIKeyAIIIJOIMPGVQMB-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds3

About 3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one

3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 119402493) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID119402493
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC1CCC(CCC(=O)N2CCNCC2)O1
InChIInChI=1S/C12H22N2O2/c1-10-2-3-11(16-10)4-5-12(15)14-8-6-13-7-9-14/h10-11,13H,2-9H2,1H3
InChIKeyAIIIJOIMPGVQMB-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
CID 119423632
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one
CID 119646888
3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119447660
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(5-methyloxolan-2-yl)propan-1-one;hydrochloride
CID 120814805
2-[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 125153357
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
3-(5-methyloxolan-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388756
(3S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153948
(3S)-4-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 125153950
2-[(2R)-1-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]pyrrolidin-2-yl]acetic acid
CID 129468282
3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 113411276
1-(1,4-diazepan-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62210868

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one (CID 119402493) is 3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one is CC1CCC(CCC(=O)N2CCNCC2)O1.
What is the InChIKey of 3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is AIIIJOIMPGVQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10-2-3-11(16-10)4-5-12(15)14-8-6-13-7-9-14/h10-11,13H,2-9H2,1H3.
What are the key properties of 3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one?
3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 119402493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).