2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one

C15H21NO4 — CID 77093367

IUPAC2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one
SMILESCCC1(CO)CCN(C(=O)c2cc(=O)cc(C)o2)CC1
InChIInChI=1S/C15H21NO4/c1-3-15(10-17)4-6-16(7-5-15)14(19)13-9-12(18)8-11(2)20-13/h8-9,17H,3-7,10H2,1-2H3
InChIKeyOQKRLKIOLUDBOP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.57
Rot. Bonds3

About 2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one

2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one (PubChem CID 77093367) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one
PubChem CID77093367
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one
SMILESCCC1(CO)CCN(C(=O)c2cc(=O)cc(C)o2)CC1
InChIInChI=1S/C15H21NO4/c1-3-15(10-17)4-6-16(7-5-15)14(19)13-9-12(18)8-11(2)20-13/h8-9,17H,3-7,10H2,1-2H3
InChIKeyOQKRLKIOLUDBOP-UHFFFAOYSA-N
XLogP1.57
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one?
The IUPAC name of 2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one (CID 77093367) is 2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one.
What is the SMILES notation for 2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one?
The canonical SMILES for 2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one is CCC1(CO)CCN(C(=O)c2cc(=O)cc(C)o2)CC1.
What is the InChIKey of 2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one?
The InChIKey is OQKRLKIOLUDBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-15(10-17)4-6-16(7-5-15)14(19)13-9-12(18)8-11(2)20-13/h8-9,17H,3-7,10H2,1-2H3.
What are the key properties of 2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one?
2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one has a molecular weight of 279.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyran-4-one is sourced from PubChem (CID 77093367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).