5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one

C14H28N2O2 — CID 139598790

IUPAC5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one
SMILESCOCCCN(C)CC1CCC(=O)N(C(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-12(2)16-11-13(6-7-14(16)17)10-15(3)8-5-9-18-4/h12-13H,5-11H2,1-4H3
InChIKeyJWRZICKBZBFWCN-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.60
Rot. Bonds7

About 5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one

5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one (PubChem CID 139598790) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one
PubChem CID139598790
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one
SMILESCOCCCN(C)CC1CCC(=O)N(C(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-12(2)16-11-13(6-7-14(16)17)10-15(3)8-5-9-18-4/h12-13H,5-11H2,1-4H3
InChIKeyJWRZICKBZBFWCN-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one (CID 139598790) is 5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one is COCCCN(C)CC1CCC(=O)N(C(C)C)C1.
What is the InChIKey of 5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is JWRZICKBZBFWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)16-11-13(6-7-14(16)17)10-15(3)8-5-9-18-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one?
5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 256.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 139598790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).