ethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one

C15H29NO3 — CID 176577146

IUPACethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one
SMILESCC.CC(=O)COC1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C13H23NO3.C2H6/c1-10(2)13(16)8-14-6-4-12(5-7-14)17-9-11(3)15;1-2/h10,12H,4-9H2,1-3H3;1-2H3
InChIKeyUOZDPKGQBKTPCD-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.31
Rot. Bonds6

About ethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one

ethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one (PubChem CID 176577146) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one.

Molecular Properties

Compound Nameethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one
PubChem CID176577146
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one
SMILESCC.CC(=O)COC1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C13H23NO3.C2H6/c1-10(2)13(16)8-14-6-4-12(5-7-14)17-9-11(3)15;1-2/h10,12H,4-9H2,1-3H3;1-2H3
InChIKeyUOZDPKGQBKTPCD-UHFFFAOYSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one?
The IUPAC name of ethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one (CID 176577146) is ethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one.
What is the SMILES notation for ethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one?
The canonical SMILES for ethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one is CC.CC(=O)COC1CCN(CC(=O)C(C)C)CC1.
What is the InChIKey of ethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one?
The InChIKey is UOZDPKGQBKTPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3.C2H6/c1-10(2)13(16)8-14-6-4-12(5-7-14)17-9-11(3)15;1-2/h10,12H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one?
ethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one has a molecular weight of 271.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-[4-(2-oxopropoxy)piperidin-1-yl]butan-2-one is sourced from PubChem (CID 176577146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).