(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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Related Compounds

3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one
CID 47131799
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 95758980
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110346395
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119517891
3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 38454222
2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 112766333
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 35371146
2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 120924844
1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 63753817
2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 75402758
2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 119577501

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).