1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one

C17H25NO2 — CID 176700662

IUPAC1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one
SMILESCC(C)c1ccccc1OC1CCC(=O)N(C(C)C)C1
InChIInChI=1S/C17H25NO2/c1-12(2)15-7-5-6-8-16(15)20-14-9-10-17(19)18(11-14)13(3)4/h5-8,12-14H,9-11H2,1-4H3
InChIKeyUCOHHFHJSCMNPI-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.59
Rot. Bonds4

About 1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one

1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one (PubChem CID 176700662) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one
PubChem CID176700662
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one
SMILESCC(C)c1ccccc1OC1CCC(=O)N(C(C)C)C1
InChIInChI=1S/C17H25NO2/c1-12(2)15-7-5-6-8-16(15)20-14-9-10-17(19)18(11-14)13(3)4/h5-8,12-14H,9-11H2,1-4H3
InChIKeyUCOHHFHJSCMNPI-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one?
The IUPAC name of 1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one (CID 176700662) is 1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one.
What is the SMILES notation for 1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one?
The canonical SMILES for 1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one is CC(C)c1ccccc1OC1CCC(=O)N(C(C)C)C1.
What is the InChIKey of 1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one?
The InChIKey is UCOHHFHJSCMNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)15-7-5-6-8-16(15)20-14-9-10-17(19)18(11-14)13(3)4/h5-8,12-14H,9-11H2,1-4H3.
What are the key properties of 1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one?
1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(2-propan-2-ylphenoxy)piperidin-2-one is sourced from PubChem (CID 176700662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).