1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one

C17H25NO2 — CID 132557357

IUPAC1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one
SMILESCCC1(CCCO)CCC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-2-17(10-6-12-19)11-9-16(20)18(14-17)13-15-7-4-3-5-8-15/h3-5,7-8,19H,2,6,9-14H2,1H3
InChIKeyXLCRJUOEOVKXAY-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.98
Rot. Bonds6

About 1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one

1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one (PubChem CID 132557357) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one
PubChem CID132557357
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one
SMILESCCC1(CCCO)CCC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-2-17(10-6-12-19)11-9-16(20)18(14-17)13-15-7-4-3-5-8-15/h3-5,7-8,19H,2,6,9-14H2,1H3
InChIKeyXLCRJUOEOVKXAY-UHFFFAOYSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one?
The IUPAC name of 1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one (CID 132557357) is 1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one.
What is the SMILES notation for 1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one?
The canonical SMILES for 1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one is CCC1(CCCO)CCC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one?
The InChIKey is XLCRJUOEOVKXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-17(10-6-12-19)11-9-16(20)18(14-17)13-15-7-4-3-5-8-15/h3-5,7-8,19H,2,6,9-14H2,1H3.
What are the key properties of 1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one?
1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-5-(3-hydroxypropyl)piperidin-2-one is sourced from PubChem (CID 132557357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).