(3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one

C19H26N2O3 — CID 94007448

IUPAC(3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one
SMILESC[C@H]1C[C@H](N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)C(=O)O1
InChIInChI=1S/C19H26N2O3/c1-14-13-16(17(22)24-14)20-9-11-21(12-10-20)18(23)19(2,3)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3/t14-,16-/m0/s1
InChIKeyJQJYDZSEEDBVPM-HOCLYGCPSA-N
MW330.43 g/mol
LogP1.81
Rot. Bonds3

About (3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one

(3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one (PubChem CID 94007448) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one
PubChem CID94007448
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one
SMILESC[C@H]1C[C@H](N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)C(=O)O1
InChIInChI=1S/C19H26N2O3/c1-14-13-16(17(22)24-14)20-9-11-21(12-10-20)18(23)19(2,3)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3/t14-,16-/m0/s1
InChIKeyJQJYDZSEEDBVPM-HOCLYGCPSA-N
XLogP1.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one?
The IUPAC name of (3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one (CID 94007448) is (3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for (3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one?
The canonical SMILES for (3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one is C[C@H]1C[C@H](N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)C(=O)O1.
What is the InChIKey of (3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one?
The InChIKey is JQJYDZSEEDBVPM-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-13-16(17(22)24-14)20-9-11-21(12-10-20)18(23)19(2,3)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3/t14-,16-/m0/s1.
What are the key properties of (3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one?
(3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one has a molecular weight of 330.43 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-methyl-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 94007448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).