ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione

C18H33NO2 — CID 143764109

IUPACethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione
SMILESC=C(C[C@@H](CCC(C)=O)CC(C)=O)N1CCCCC1.CC
InChIInChI=1S/C16H27NO2.C2H6/c1-13(17-9-5-4-6-10-17)11-16(12-15(3)19)8-7-14(2)18;1-2/h16H,1,4-12H2,2-3H3;1-2H3/t16-;/m1./s1
InChIKeyHIINFHOTBBEVJH-PKLMIRHRSA-N
MW295.47 g/mol
LogP4.37
Rot. Bonds8

About ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione

ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione (PubChem CID 143764109) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione.

Molecular Properties

Compound Nameethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione
PubChem CID143764109
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Nameethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione
SMILESC=C(C[C@@H](CCC(C)=O)CC(C)=O)N1CCCCC1.CC
InChIInChI=1S/C16H27NO2.C2H6/c1-13(17-9-5-4-6-10-17)11-16(12-15(3)19)8-7-14(2)18;1-2/h16H,1,4-12H2,2-3H3;1-2H3/t16-;/m1./s1
InChIKeyHIINFHOTBBEVJH-PKLMIRHRSA-N
XLogP4.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione?
The IUPAC name of ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione (CID 143764109) is ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione.
What is the SMILES notation for ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione?
The canonical SMILES for ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione is C=C(C[C@@H](CCC(C)=O)CC(C)=O)N1CCCCC1.CC.
What is the InChIKey of ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione?
The InChIKey is HIINFHOTBBEVJH-PKLMIRHRSA-N. The full InChI is InChI=1S/C16H27NO2.C2H6/c1-13(17-9-5-4-6-10-17)11-16(12-15(3)19)8-7-14(2)18;1-2/h16H,1,4-12H2,2-3H3;1-2H3/t16-;/m1./s1.
What are the key properties of ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione?
ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione has a molecular weight of 295.47 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione is sourced from PubChem (CID 143764109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).