1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one

C13H23N3O2 — CID 110689775

IUPAC1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCCN1CCN(C(=O)CN2CCCCC2=O)CC1
InChIInChI=1S/C13H23N3O2/c1-2-14-7-9-15(10-8-14)13(18)11-16-6-4-3-5-12(16)17/h2-11H2,1H3
InChIKeyWKKXXXUOSYNYKZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.16
Rot. Bonds3

About 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one

1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 110689775) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
PubChem CID110689775
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCCN1CCN(C(=O)CN2CCCCC2=O)CC1
InChIInChI=1S/C13H23N3O2/c1-2-14-7-9-15(10-8-14)13(18)11-16-6-4-3-5-12(16)17/h2-11H2,1H3
InChIKeyWKKXXXUOSYNYKZ-UHFFFAOYSA-N
XLogP0.16
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
1-(2-oxo-2-piperazin-1-ylethyl)piperidin-2-one
CID 28824712
1-[2-[4-(2-methylsulfonylethyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one
CID 134706707
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 86982347
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
1-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-2-one;hydrochloride
CID 119417380
4-hydroxy-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251297
1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119544452
1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one
CID 131906919
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one
CID 55758315
1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578835

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one (CID 110689775) is 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one is CCN1CCN(C(=O)CN2CCCCC2=O)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is WKKXXXUOSYNYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-14-7-9-15(10-8-14)13(18)11-16-6-4-3-5-12(16)17/h2-11H2,1H3.
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one?
1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 110689775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).