1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one

C12H20N2O3 — CID 27233577

IUPAC1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C12H20N2O3/c1-2-11(15)13-5-7-14(8-6-13)12(16)10-4-3-9-17-10/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeyGKAYUGYTASUQJU-JTQLQIEISA-N
MW240.30 g/mol
LogP0.25
Rot. Bonds2

About 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one

1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one (PubChem CID 27233577) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one
PubChem CID27233577
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C12H20N2O3/c1-2-11(15)13-5-7-14(8-6-13)12(16)10-4-3-9-17-10/h10H,2-9H2,1H3/t10-/m0/s1
InChIKeyGKAYUGYTASUQJU-JTQLQIEISA-N
XLogP0.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one (CID 27233577) is 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one?
The InChIKey is GKAYUGYTASUQJU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-11(15)13-5-7-14(8-6-13)12(16)10-4-3-9-17-10/h10H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one?
1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one has a molecular weight of 240.30 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 27233577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).