[(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

C15H24N2O4 — CID 27485489

IUPAC[(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESC[C@H]1CN(C(=O)[C@H]2CCCO2)CCN1C(=O)[C@@H]1CCCO1
InChIInChI=1S/C15H24N2O4/c1-11-10-16(14(18)12-4-2-8-20-12)6-7-17(11)15(19)13-5-3-9-21-13/h11-13H,2-10H2,1H3/t11-,12+,13-/m0/s1
InChIKeyUEBBWVYZXXJFEZ-XQQFMLRXSA-N
MW296.37 g/mol
LogP0.40
Rot. Bonds2

About [(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

[(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 27485489) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is [(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID27485489
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name[(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESC[C@H]1CN(C(=O)[C@H]2CCCO2)CCN1C(=O)[C@@H]1CCCO1
InChIInChI=1S/C15H24N2O4/c1-11-10-16(14(18)12-4-2-8-20-12)6-7-17(11)15(19)13-5-3-9-21-13/h11-13H,2-10H2,1H3/t11-,12+,13-/m0/s1
InChIKeyUEBBWVYZXXJFEZ-XQQFMLRXSA-N
XLogP0.40
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 27485489) is [(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is C[C@H]1CN(C(=O)[C@H]2CCCO2)CCN1C(=O)[C@@H]1CCCO1.
What is the InChIKey of [(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is UEBBWVYZXXJFEZ-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11-10-16(14(18)12-4-2-8-20-12)6-7-17(11)15(19)13-5-3-9-21-13/h11-13H,2-10H2,1H3/t11-,12+,13-/m0/s1.
What are the key properties of [(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 296.37 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 27485489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).