(6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one

C14H23NO2 — CID 139091087

IUPAC(6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one
SMILESCC[C@H]1CCCCC(=O)[C@@H]1[C@H]1CCCC(=O)N1
InChIInChI=1S/C14H23NO2/c1-2-10-6-3-4-8-12(16)14(10)11-7-5-9-13(17)15-11/h10-11,14H,2-9H2,1H3,(H,15,17)/t10-,11+,14-/m0/s1
InChIKeyOIEOUQZHRVDTFO-WDMOLILDSA-N
MW237.34 g/mol
LogP2.44
Rot. Bonds2

About (6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one

(6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one (PubChem CID 139091087) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one
PubChem CID139091087
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one
SMILESCC[C@H]1CCCCC(=O)[C@@H]1[C@H]1CCCC(=O)N1
InChIInChI=1S/C14H23NO2/c1-2-10-6-3-4-8-12(16)14(10)11-7-5-9-13(17)15-11/h10-11,14H,2-9H2,1H3,(H,15,17)/t10-,11+,14-/m0/s1
InChIKeyOIEOUQZHRVDTFO-WDMOLILDSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one?
The IUPAC name of (6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one (CID 139091087) is (6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one.
What is the SMILES notation for (6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one?
The canonical SMILES for (6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one is CC[C@H]1CCCCC(=O)[C@@H]1[C@H]1CCCC(=O)N1.
What is the InChIKey of (6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one?
The InChIKey is OIEOUQZHRVDTFO-WDMOLILDSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-10-6-3-4-8-12(16)14(10)11-7-5-9-13(17)15-11/h10-11,14H,2-9H2,1H3,(H,15,17)/t10-,11+,14-/m0/s1.
What are the key properties of (6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one?
(6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one has a molecular weight of 237.34 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1S,2S)-2-ethyl-7-oxocycloheptyl]piperidin-2-one is sourced from PubChem (CID 139091087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).