4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one

C13H23N3O2 — CID 83192198

IUPAC4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCC1CN(C(=O)C2CNC(=O)C2)C(CC)CN1
InChIInChI=1S/C13H23N3O2/c1-3-10-8-16(11(4-2)7-14-10)13(18)9-5-12(17)15-6-9/h9-11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyWASHWXOJTOTPNR-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.11
Rot. Bonds3

About 4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one

4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 83192198) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID83192198
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCC1CN(C(=O)C2CNC(=O)C2)C(CC)CN1
InChIInChI=1S/C13H23N3O2/c1-3-10-8-16(11(4-2)7-14-10)13(18)9-5-12(17)15-6-9/h9-11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyWASHWXOJTOTPNR-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978451
cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978279
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-diethylpiperazin-1-yl)methanone
CID 66394405
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925
azepan-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 79152036
(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 64978518
(3,5-dibromophenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107973323
(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 64978233
(2,5-diethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 64978517
1-(2,5-diethylpiperazin-1-yl)octan-1-one
CID 64978357
(2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 64978507
2-cyclohexyl-1-(2,5-diethylpiperazin-1-yl)ethanone
CID 64978349

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 83192198) is 4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one is CCC1CN(C(=O)C2CNC(=O)C2)C(CC)CN1.
What is the InChIKey of 4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is WASHWXOJTOTPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-10-8-16(11(4-2)7-14-10)13(18)9-5-12(17)15-6-9/h9-11,14H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one?
4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diethylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 83192198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).