3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one

C16H25N3O3 — CID 94758661

IUPAC3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one
SMILESCC(C)CCOc1cccn(CC(=O)N2CCNCC2)c1=O
InChIInChI=1S/C16H25N3O3/c1-13(2)5-11-22-14-4-3-8-19(16(14)21)12-15(20)18-9-6-17-7-10-18/h3-4,8,13,17H,5-7,9-12H2,1-2H3
InChIKeyIFTDPJRVJGNWGZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.70
Rot. Bonds6

About 3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one

3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one (PubChem CID 94758661) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one
PubChem CID94758661
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one
SMILESCC(C)CCOc1cccn(CC(=O)N2CCNCC2)c1=O
InChIInChI=1S/C16H25N3O3/c1-13(2)5-11-22-14-4-3-8-19(16(14)21)12-15(20)18-9-6-17-7-10-18/h3-4,8,13,17H,5-7,9-12H2,1-2H3
InChIKeyIFTDPJRVJGNWGZ-UHFFFAOYSA-N
XLogP0.70
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-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

2-[[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]methyl]benzoic acid
CID 94745786
3-methoxy-1-(2-oxo-2-thiomorpholin-4-ylethyl)pyridin-2-one
CID 72931086
2-[2-oxo-3-(3-oxo-3-piperidin-1-ylpropoxy)-1-pyridinyl]ethanethioamide
CID 82151242
3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one
CID 72904852
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
4-(2-methylphenoxy)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403750
1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)imidazol-2-one
CID 80581115
2-[2-oxo-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1-pyridinyl]ethanethioamide
CID 82151244
3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83954594
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
3-methoxy-1-[2-oxo-2-(3-phenylmethoxypiperidin-1-yl)ethyl]pyridin-2-one
CID 72865730
2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid
CID 82056097

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one?
The IUPAC name of 3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one (CID 94758661) is 3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one.
What is the SMILES notation for 3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one?
The canonical SMILES for 3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one is CC(C)CCOc1cccn(CC(=O)N2CCNCC2)c1=O.
What is the InChIKey of 3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one?
The InChIKey is IFTDPJRVJGNWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-13(2)5-11-22-14-4-3-8-19(16(14)21)12-15(20)18-9-6-17-7-10-18/h3-4,8,13,17H,5-7,9-12H2,1-2H3.
What are the key properties of 3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one?
3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one has a molecular weight of 307.39 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxy)-1-(2-oxo-2-piperazin-1-ylethyl)pyridin-2-one is sourced from PubChem (CID 94758661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).