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

C10H20N4O — CID 71131603

IUPAC2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESNN1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C10H20N4O/c11-14-7-5-12(6-8-14)9-10(15)13-3-1-2-4-13/h1-9,11H2
InChIKeyXLTVAYSTUZJPQQ-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.90
Rot. Bonds2

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

2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 71131603) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID71131603
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESNN1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C10H20N4O/c11-14-7-5-12(6-8-14)9-10(15)13-3-1-2-4-13/h1-9,11H2
InChIKeyXLTVAYSTUZJPQQ-UHFFFAOYSA-N
XLogP-0.90
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 60645190
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253082
2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 119876027
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253151
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-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone (CID 71131603) is 2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone is NN1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is XLTVAYSTUZJPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c11-14-7-5-12(6-8-14)9-10(15)13-3-1-2-4-13/h1-9,11H2.
What are the key properties of 2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 212.30 g/mol, XLogP of -0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 71131603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).