1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one

C16H30N2O2Si — CID 67112213

IUPAC1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2C[C@@H]2C[C@@H]1N1CCNCC1=O
InChIInChI=1S/C16H30N2O2Si/c1-16(2,3)21(4,5)20-15-12-8-11(12)9-13(15)18-7-6-17-10-14(18)19/h11-13,15,17H,6-10H2,1-5H3/t11-,12+,13+,15-/m1/s1
InChIKeyPMUSTGOWORYSOI-UKTARXLSSA-N
MW310.51 g/mol
LogP2.22
Rot. Bonds3

About 1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one

1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one (PubChem CID 67112213) has the molecular formula C16H30N2O2Si and a molecular weight of 310.51 g/mol. Its IUPAC name is 1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
PubChem CID67112213
Molecular FormulaC16H30N2O2Si
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2C[C@@H]2C[C@@H]1N1CCNCC1=O
InChIInChI=1S/C16H30N2O2Si/c1-16(2,3)21(4,5)20-15-12-8-11(12)9-13(15)18-7-6-17-10-14(18)19/h11-13,15,17H,6-10H2,1-5H3/t11-,12+,13+,15-/m1/s1
InChIKeyPMUSTGOWORYSOI-UKTARXLSSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one?
The IUPAC name of 1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one (CID 67112213) is 1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one.
What is the SMILES notation for 1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one?
The canonical SMILES for 1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2C[C@@H]2C[C@@H]1N1CCNCC1=O.
What is the InChIKey of 1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one?
The InChIKey is PMUSTGOWORYSOI-UKTARXLSSA-N. The full InChI is InChI=1S/C16H30N2O2Si/c1-16(2,3)21(4,5)20-15-12-8-11(12)9-13(15)18-7-6-17-10-14(18)19/h11-13,15,17H,6-10H2,1-5H3/t11-,12+,13+,15-/m1/s1.
What are the key properties of 1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one?
1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one has a molecular weight of 310.51 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one is sourced from PubChem (CID 67112213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).