3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione

C13H23N3O2 — CID 66069286

IUPAC3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1CCCC1CCCN1
InChIInChI=1S/C13H23N3O2/c1-2-11-13(18)15-12(17)9-16(11)8-4-6-10-5-3-7-14-10/h10-11,14H,2-9H2,1H3,(H,15,17,18)
InChIKeyYAQHVRPYRKZJHW-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.26
Rot. Bonds5

About 3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione

3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione (PubChem CID 66069286) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione
PubChem CID66069286
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1CCCC1CCCN1
InChIInChI=1S/C13H23N3O2/c1-2-11-13(18)15-12(17)9-16(11)8-4-6-10-5-3-7-14-10/h10-11,14H,2-9H2,1H3,(H,15,17,18)
InChIKeyYAQHVRPYRKZJHW-UHFFFAOYSA-N
XLogP0.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione
CID 66068190
4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione
CID 66069154
3-ethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-2-one
CID 104870196
4-[2-(4-aminophenyl)ethyl]-3-ethylpiperazine-2,6-dione
CID 66069831
3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione
CID 66075534
3,3-dimethyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidine-2,5-dione
CID 65301913
3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole
CID 82694533
3-ethyl-4-(3-piperidin-2-ylpropyl)morpholine
CID 55048173
2-(3-pyrrolidin-2-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79941101
3-ethylsulfonyl-4-(3-pyrrolidin-2-ylpropyl)thiomorpholine
CID 66382743
(2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine
CID 104967552
3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one
CID 63172875

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione (CID 66069286) is 3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1CCCC1CCCN1.
What is the InChIKey of 3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione?
The InChIKey is YAQHVRPYRKZJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-11-13(18)15-12(17)9-16(11)8-4-6-10-5-3-7-14-10/h10-11,14H,2-9H2,1H3,(H,15,17,18).
What are the key properties of 3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione?
3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione has a molecular weight of 253.35 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione is sourced from PubChem (CID 66069286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).