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

C16H24N2O3 — CID 91795923

IUPAC2-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(C(C)N(C)C)CC2)o1
InChIInChI=1S/C16H24N2O3/c1-11-9-14(19)10-15(21-11)16(20)18-7-5-13(6-8-18)12(2)17(3)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyCSLIKNHGNCXSAJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.75
Rot. Bonds3

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

2-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-methylpyran-4-one (PubChem CID 91795923) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-methylpyran-4-one
PubChem CID91795923
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(C(C)N(C)C)CC2)o1
InChIInChI=1S/C16H24N2O3/c1-11-9-14(19)10-15(21-11)16(20)18-7-5-13(6-8-18)12(2)17(3)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyCSLIKNHGNCXSAJ-UHFFFAOYSA-N
XLogP1.75
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-methylpyran-4-one?
The IUPAC name of 2-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-methylpyran-4-one (CID 91795923) is 2-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-methylpyran-4-one.
What is the SMILES notation for 2-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-methylpyran-4-one?
The canonical SMILES for 2-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-methylpyran-4-one is Cc1cc(=O)cc(C(=O)N2CCC(C(C)N(C)C)CC2)o1.
What is the InChIKey of 2-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-methylpyran-4-one?
The InChIKey is CSLIKNHGNCXSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-9-14(19)10-15(21-11)16(20)18-7-5-13(6-8-18)12(2)17(3)4/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 2-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-methylpyran-4-one?
2-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-methylpyran-4-one has a molecular weight of 292.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(dimethylamino)ethyl]piperidine-1-carbonyl]-6-methylpyran-4-one is sourced from PubChem (CID 91795923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).