1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one

C13H26N2O3 — CID 113464183

IUPAC1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one
SMILESCNC1CCCN(CCCCOCCOC)C1=O
InChIInChI=1S/C13H26N2O3/c1-14-12-6-5-8-15(13(12)16)7-3-4-9-18-11-10-17-2/h12,14H,3-11H2,1-2H3
InChIKeyDVNUXSWYISJIIJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.64
Rot. Bonds9

About 1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one

1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one (PubChem CID 113464183) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one
PubChem CID113464183
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one
SMILESCNC1CCCN(CCCCOCCOC)C1=O
InChIInChI=1S/C13H26N2O3/c1-14-12-6-5-8-15(13(12)16)7-3-4-9-18-11-10-17-2/h12,14H,3-11H2,1-2H3
InChIKeyDVNUXSWYISJIIJ-UHFFFAOYSA-N
XLogP0.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxypentyl)-3-(methylamino)piperidin-2-one
CID 106137678
1-[2-(dimethylamino)ethyl]-3-(methylamino)azepan-2-one;1-(2-methoxyethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-oxopropyl)azepan-2-one
CID 91397696
1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336239
3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one
CID 106008612
3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one
CID 106305737
(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 142158964
3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one
CID 106432536
2-[(3S)-3-(methylamino)-2-oxoazepan-1-yl]acetic acid
CID 66806132
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
CID 22984797
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one
CID 107165265
2,2-dimethyl-3-[3-(methylamino)-2-oxopiperidin-1-yl]propanamide
CID 106277942
3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one
CID 114186711

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one?
The IUPAC name of 1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one (CID 113464183) is 1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one?
The canonical SMILES for 1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one is CNC1CCCN(CCCCOCCOC)C1=O.
What is the InChIKey of 1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one?
The InChIKey is DVNUXSWYISJIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-14-12-6-5-8-15(13(12)16)7-3-4-9-18-11-10-17-2/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one?
1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one has a molecular weight of 258.36 g/mol, XLogP of 0.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one is sourced from PubChem (CID 113464183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).