[(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C16H26N2O4 — CID 27017069

IUPAC[(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESC[C@H]1CN(C(=O)[C@H]2CCCO2)[C@@H](C)CN1C(=O)[C@@H]1CCCO1
InChIInChI=1S/C16H26N2O4/c1-11-9-18(16(20)14-6-4-8-22-14)12(2)10-17(11)15(19)13-5-3-7-21-13/h11-14H,3-10H2,1-2H3/t11-,12-,13-,14+/m0/s1
InChIKeyNCRJFOUCNRHDNJ-XDQVBPFNSA-N
MW310.39 g/mol
LogP0.79
Rot. Bonds2

About [(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 27017069) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is [(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID27017069
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name[(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESC[C@H]1CN(C(=O)[C@H]2CCCO2)[C@@H](C)CN1C(=O)[C@@H]1CCCO1
InChIInChI=1S/C16H26N2O4/c1-11-9-18(16(20)14-6-4-8-22-14)12(2)10-17(11)15(19)13-5-3-7-21-13/h11-14H,3-10H2,1-2H3/t11-,12-,13-,14+/m0/s1
InChIKeyNCRJFOUCNRHDNJ-XDQVBPFNSA-N
XLogP0.79
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 27017069) is [(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is C[C@H]1CN(C(=O)[C@H]2CCCO2)[C@@H](C)CN1C(=O)[C@@H]1CCCO1.
What is the InChIKey of [(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is NCRJFOUCNRHDNJ-XDQVBPFNSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-11-9-18(16(20)14-6-4-8-22-14)12(2)10-17(11)15(19)13-5-3-7-21-13/h11-14H,3-10H2,1-2H3/t11-,12-,13-,14+/m0/s1.
What are the key properties of [(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 310.39 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-2,5-dimethyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 27017069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).