1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one

C14H23N3O — CID 82907362

IUPAC1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one
SMILESCCC1CN(CCn2ccccc2=O)C(C)CN1
InChIInChI=1S/C14H23N3O/c1-3-13-11-17(12(2)10-15-13)9-8-16-7-5-4-6-14(16)18/h4-7,12-13,15H,3,8-11H2,1-2H3
InChIKeyNOPUBVVRXNUQIM-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.92
Rot. Bonds4

About 1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one

1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one (PubChem CID 82907362) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one
PubChem CID82907362
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one
SMILESCCC1CN(CCn2ccccc2=O)C(C)CN1
InChIInChI=1S/C14H23N3O/c1-3-13-11-17(12(2)10-15-13)9-8-16-7-5-4-6-14(16)18/h4-7,12-13,15H,3,8-11H2,1-2H3
InChIKeyNOPUBVVRXNUQIM-UHFFFAOYSA-N
XLogP0.92
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-cyclopropyl-7-methyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
CID 82907669
1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82908045
1-[2-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82908046
1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one
CID 82907258
1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine
CID 64840935
2-[(5-ethyl-2-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64841330
5-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 64840938
3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione
CID 82899910
5-ethyl-2-methyl-1-(7-methyloctyl)piperazine
CID 107818456
1-[2-(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
CID 82907745
1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 103576927
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine
CID 104772091

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one (CID 82907362) is 1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one is CCC1CN(CCn2ccccc2=O)C(C)CN1.
What is the InChIKey of 1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one?
The InChIKey is NOPUBVVRXNUQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-13-11-17(12(2)10-15-13)9-8-16-7-5-4-6-14(16)18/h4-7,12-13,15H,3,8-11H2,1-2H3.
What are the key properties of 1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one?
1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethyl-2-methylpiperazin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 82907362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).