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

C16H27NO2 — CID 143764110

IUPAC(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione
SMILESC=C(C[C@@H](CCC(C)=O)CC(C)=O)N1CCCCC1
InChIInChI=1S/C16H27NO2/c1-13(17-9-5-4-6-10-17)11-16(12-15(3)19)8-7-14(2)18/h16H,1,4-12H2,2-3H3/t16-/m1/s1
InChIKeyHQMNKEUOBZBMKN-MRXNPFEDSA-N
MW265.40 g/mol
LogP3.34
Rot. Bonds8

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

(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione (PubChem CID 143764110) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione.

Molecular Properties

Compound Name(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione
PubChem CID143764110
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione
SMILESC=C(C[C@@H](CCC(C)=O)CC(C)=O)N1CCCCC1
InChIInChI=1S/C16H27NO2/c1-13(17-9-5-4-6-10-17)11-16(12-15(3)19)8-7-14(2)18/h16H,1,4-12H2,2-3H3/t16-/m1/s1
InChIKeyHQMNKEUOBZBMKN-MRXNPFEDSA-N
XLogP3.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione?
The IUPAC name of (4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione (CID 143764110) is (4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione.
What is the SMILES notation for (4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione?
The canonical SMILES for (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.
What is the InChIKey of (4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione?
The InChIKey is HQMNKEUOBZBMKN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(17-9-5-4-6-10-17)11-16(12-15(3)19)8-7-14(2)18/h16H,1,4-12H2,2-3H3/t16-/m1/s1.
What are the key properties of (4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione?
(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione has a molecular weight of 265.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione is sourced from PubChem (CID 143764110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).