1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one

C11H22N2O2 — CID 81427683

IUPAC1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
SMILESCCCOCCC(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C11H22N2O2/c1-3-7-15-8-4-11(14)13-6-5-12-10(2)9-13/h10,12H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyVIVSWSXXXJICLO-SNVBAGLBSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds5

About 1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one

1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one (PubChem CID 81427683) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
PubChem CID81427683
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
SMILESCCCOCCC(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C11H22N2O2/c1-3-7-15-8-4-11(14)13-6-5-12-10(2)9-13/h10,12H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyVIVSWSXXXJICLO-SNVBAGLBSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
2-(2-ethoxyethoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577158
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-propoxypropan-1-one
CID 102958903
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 105056363
4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide
CID 119579732
1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride
CID 119579077
3-pentoxy-1-piperazin-1-ylpropan-1-one
CID 62544248
1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one
CID 107224835
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-propoxypropan-1-one
CID 66212186
1-(3-methylpiperazin-1-yl)-2-propylsulfanylethanone
CID 119578055
4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580889

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one?
The IUPAC name of 1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one (CID 81427683) is 1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one.
What is the SMILES notation for 1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one?
The canonical SMILES for 1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one is CCCOCCC(=O)N1CCN[C@H](C)C1.
What is the InChIKey of 1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one?
The InChIKey is VIVSWSXXXJICLO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-7-15-8-4-11(14)13-6-5-12-10(2)9-13/h10,12H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one?
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one is sourced from PubChem (CID 81427683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).