1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one

C15H23N3O2 — CID 77089464

IUPAC1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one
SMILESCOc1ccc(CN(C)CCN2CCCCC2=O)cn1
InChIInChI=1S/C15H23N3O2/c1-17(9-10-18-8-4-3-5-15(18)19)12-13-6-7-14(20-2)16-11-13/h6-7,11H,3-5,8-10,12H2,1-2H3
InChIKeyWXMYULYQDLBSBZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.53
Rot. Bonds6

About 1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one

1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one (PubChem CID 77089464) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one
PubChem CID77089464
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one
SMILESCOc1ccc(CN(C)CCN2CCCCC2=O)cn1
InChIInChI=1S/C15H23N3O2/c1-17(9-10-18-8-4-3-5-15(18)19)12-13-6-7-14(20-2)16-11-13/h6-7,11H,3-5,8-10,12H2,1-2H3
InChIKeyWXMYULYQDLBSBZ-UHFFFAOYSA-N
XLogP1.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxy-3-pyridinyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110620781
1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine
CID 62995548
1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione
CID 62992277
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
2-(6-methoxy-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide
CID 117083693
1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one
CID 62990467
1-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]ethyl]pyrrolidin-2-one
CID 111121945
1-[3-[[4-methoxy-6-(6-methoxy-3-pyridinyl)-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117083958
1-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]pyrrolidin-2-one
CID 144760396
N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
CID 121429591
1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one
CID 69221614
1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
CID 71855025

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one (CID 77089464) is 1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one is COc1ccc(CN(C)CCN2CCCCC2=O)cn1.
What is the InChIKey of 1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one?
The InChIKey is WXMYULYQDLBSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17(9-10-18-8-4-3-5-15(18)19)12-13-6-7-14(20-2)16-11-13/h6-7,11H,3-5,8-10,12H2,1-2H3.
What are the key properties of 1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one?
1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one is sourced from PubChem (CID 77089464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).