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

C17H27N3O3 — CID 86286386

IUPAC2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(N(C)CCN(C)C)CC2)o1
InChIInChI=1S/C17H27N3O3/c1-13-11-15(21)12-16(23-13)17(22)20-7-5-14(6-8-20)19(4)10-9-18(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyZYIXTONGWDDKBN-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.05
Rot. Bonds5

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

2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]-6-methylpyran-4-one (PubChem CID 86286386) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]-6-methylpyran-4-one
PubChem CID86286386
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(N(C)CCN(C)C)CC2)o1
InChIInChI=1S/C17H27N3O3/c1-13-11-15(21)12-16(23-13)17(22)20-7-5-14(6-8-20)19(4)10-9-18(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyZYIXTONGWDDKBN-UHFFFAOYSA-N
XLogP1.05
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]-6-methylpyran-4-one?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]-6-methylpyran-4-one (CID 86286386) is 2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]-6-methylpyran-4-one.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]-6-methylpyran-4-one?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]-6-methylpyran-4-one is Cc1cc(=O)cc(C(=O)N2CCC(N(C)CCN(C)C)CC2)o1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]-6-methylpyran-4-one?
The InChIKey is ZYIXTONGWDDKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13-11-15(21)12-16(23-13)17(22)20-7-5-14(6-8-20)19(4)10-9-18(2)3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]-6-methylpyran-4-one?
2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]-6-methylpyran-4-one has a molecular weight of 321.42 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]-6-methylpyran-4-one is sourced from PubChem (CID 86286386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).