1-[(3R)-3-pentylpiperazin-1-yl]ethanone

C11H22N2O — CID 11367628

IUPAC1-[(3R)-3-pentylpiperazin-1-yl]ethanone
SMILESCCCCC[C@@H]1CN(C(C)=O)CCN1
InChIInChI=1S/C11H22N2O/c1-3-4-5-6-11-9-13(10(2)14)8-7-12-11/h11-12H,3-9H2,1-2H3/t11-/m1/s1
InChIKeySSXMWACHGFHRFL-LLVKDONJSA-N
MW198.31 g/mol
LogP1.39
Rot. Bonds4

About 1-[(3R)-3-pentylpiperazin-1-yl]ethanone

1-[(3R)-3-pentylpiperazin-1-yl]ethanone (PubChem CID 11367628) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(3R)-3-pentylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-pentylpiperazin-1-yl]ethanone
PubChem CID11367628
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(3R)-3-pentylpiperazin-1-yl]ethanone
SMILESCCCCC[C@@H]1CN(C(C)=O)CCN1
InChIInChI=1S/C11H22N2O/c1-3-4-5-6-11-9-13(10(2)14)8-7-12-11/h11-12H,3-9H2,1-2H3/t11-/m1/s1
InChIKeySSXMWACHGFHRFL-LLVKDONJSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-pentylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-pentylpiperazin-1-yl]ethanone (CID 11367628) is 1-[(3R)-3-pentylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-pentylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-pentylpiperazin-1-yl]ethanone is CCCCC[C@@H]1CN(C(C)=O)CCN1.
What is the InChIKey of 1-[(3R)-3-pentylpiperazin-1-yl]ethanone?
The InChIKey is SSXMWACHGFHRFL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-5-6-11-9-13(10(2)14)8-7-12-11/h11-12H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-pentylpiperazin-1-yl]ethanone?
1-[(3R)-3-pentylpiperazin-1-yl]ethanone has a molecular weight of 198.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-pentylpiperazin-1-yl]ethanone is sourced from PubChem (CID 11367628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).