4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one

C11H16N2O3 — CID 97181551

IUPAC4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2CC2)CCN1C[C@H]1CO1
InChIInChI=1S/C11H16N2O3/c14-10-6-13(11(15)8-1-2-8)4-3-12(10)5-9-7-16-9/h8-9H,1-7H2/t9-/m0/s1
InChIKeyHPJHHBNVDLIKIW-VIFPVBQESA-N
MW224.26 g/mol
LogP-0.53
Rot. Bonds3

About 4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one

4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one (PubChem CID 97181551) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one
PubChem CID97181551
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2CC2)CCN1C[C@H]1CO1
InChIInChI=1S/C11H16N2O3/c14-10-6-13(11(15)8-1-2-8)4-3-12(10)5-9-7-16-9/h8-9H,1-7H2/t9-/m0/s1
InChIKeyHPJHHBNVDLIKIW-VIFPVBQESA-N
XLogP-0.53
TPSA53.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one?
The IUPAC name of 4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one (CID 97181551) is 4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one is O=C1CN(C(=O)C2CC2)CCN1C[C@H]1CO1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one?
The InChIKey is HPJHHBNVDLIKIW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O3/c14-10-6-13(11(15)8-1-2-8)4-3-12(10)5-9-7-16-9/h8-9H,1-7H2/t9-/m0/s1.
What are the key properties of 4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one?
4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one has a molecular weight of 224.26 g/mol, XLogP of -0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-1-[[(2S)-oxiran-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 97181551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).