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

C15H24N2O4 — CID 27485487

IUPAC[(3R)-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+/m1/s1
InChIKeyUEBBWVYZXXJFEZ-UPJWGTAASA-N
MW296.37 g/mol
LogP0.40
Rot. Bonds2

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

[(3R)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 27485487) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is [(3R)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID27485487
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name[(3R)-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+/m1/s1
InChIKeyUEBBWVYZXXJFEZ-UPJWGTAASA-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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [(3R)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 27485487) is [(3R)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [(3R)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [(3R)-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 [(3R)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is UEBBWVYZXXJFEZ-UPJWGTAASA-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+/m1/s1.
What are the key properties of [(3R)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[(3R)-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 [(3R)-3-methyl-4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 27485487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).