4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one

C15H22N4O3 — CID 128995973

IUPAC4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one
SMILESCCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCN(C)C(=O)C2)cn1
InChIInChI=1S/C15H22N4O3/c1-3-19-9-11(8-16-19)14-12(4-7-22-14)15(21)18-6-5-17(2)13(20)10-18/h8-9,12,14H,3-7,10H2,1-2H3/t12-,14+/m0/s1
InChIKeyOWJVVAOGXVPHGN-GXTWGEPZSA-N
MW306.37 g/mol
LogP0.28
Rot. Bonds3

About 4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one

4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one (PubChem CID 128995973) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one
PubChem CID128995973
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one
SMILESCCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCN(C)C(=O)C2)cn1
InChIInChI=1S/C15H22N4O3/c1-3-19-9-11(8-16-19)14-12(4-7-22-14)15(21)18-6-5-17(2)13(20)10-18/h8-9,12,14H,3-7,10H2,1-2H3/t12-,14+/m0/s1
InChIKeyOWJVVAOGXVPHGN-GXTWGEPZSA-N
XLogP0.28
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one (CID 128995973) is 4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one is CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCN(C)C(=O)C2)cn1.
What is the InChIKey of 4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one?
The InChIKey is OWJVVAOGXVPHGN-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-19-9-11(8-16-19)14-12(4-7-22-14)15(21)18-6-5-17(2)13(20)10-18/h8-9,12,14H,3-7,10H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of 4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one?
4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one has a molecular weight of 306.37 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 128995973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).