2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone

C12H21N3O2 — CID 14226088

IUPAC2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(=O)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C12H21N3O2/c1-11(16)14-8-6-13(7-9-14)10-12(17)15-4-2-3-5-15/h2-10H2,1H3
InChIKeyNONINWMMRWQJGT-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.23
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone

2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 14226088) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID14226088
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(=O)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C12H21N3O2/c1-11(16)14-8-6-13(7-9-14)10-12(17)15-4-2-3-5-15/h2-10H2,1H3
InChIKeyNONINWMMRWQJGT-UHFFFAOYSA-N
XLogP-0.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729
2-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 127883264
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 71131603
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
3-methylsulfanyl-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 9117242
1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 128927567
1-(azepan-1-yl)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]ethanone
CID 56796763
oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 171669466

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone (CID 14226088) is 2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone is CC(=O)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is NONINWMMRWQJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-11(16)14-8-6-13(7-9-14)10-12(17)15-4-2-3-5-15/h2-10H2,1H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 239.32 g/mol, XLogP of -0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 14226088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).