[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C13H24N2O2 — CID 134379973

IUPAC[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCC(C)N1CCN(C(=O)[C@@H]2CCCO2)[C@H](C)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)14-6-7-15(11(3)9-14)13(16)12-5-4-8-17-12/h10-12H,4-9H2,1-3H3/t11-,12+/m1/s1
InChIKeyOWFUHSMSCTVVCY-NEPJUHHUSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds2

About [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 134379973) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID134379973
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCC(C)N1CCN(C(=O)[C@@H]2CCCO2)[C@H](C)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)14-6-7-15(11(3)9-14)13(16)12-5-4-8-17-12/h10-12H,4-9H2,1-3H3/t11-,12+/m1/s1
InChIKeyOWFUHSMSCTVVCY-NEPJUHHUSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 170205931
oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126892184
2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 106742253
(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone
CID 110739759
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856469
methyl 4-[(3S)-3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]benzoate
CID 100853368
2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one
CID 59266604
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one
CID 134380044
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55202925

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 134379973) is [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is CC(C)N1CCN(C(=O)[C@@H]2CCCO2)[C@H](C)C1.
What is the InChIKey of [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is OWFUHSMSCTVVCY-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)14-6-7-15(11(3)9-14)13(16)12-5-4-8-17-12/h10-12H,4-9H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 134379973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).