5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one

C16H25N5O2 — CID 90561459

IUPAC5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1nccn1CCN1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C16H25N5O2/c1-2-14-17-5-6-20(14)10-7-19-8-11-21(12-9-19)16(23)13-3-4-15(22)18-13/h5-6,13H,2-4,7-12H2,1H3,(H,18,22)
InChIKeyCVSNBAUUOLTWAN-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.13
Rot. Bonds5

About 5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90561459) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID90561459
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1nccn1CCN1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C16H25N5O2/c1-2-14-17-5-6-20(14)10-7-19-8-11-21(12-9-19)16(23)13-3-4-15(22)18-13/h5-6,13H,2-4,7-12H2,1H3,(H,18,22)
InChIKeyCVSNBAUUOLTWAN-UHFFFAOYSA-N
XLogP-0.13
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90508533
cyclohex-3-en-1-yl-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561708
5-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110689654
1-(4-chlorophenyl)-4-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 90561640
3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561520
3-chloro-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561527
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 90561883
3-chloro-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 90561530
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 90561851
[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90561551
5-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90493357
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561700

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 90561459) is 5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one is CCc1nccn1CCN1CCN(C(=O)C2CCC(=O)N2)CC1.
What is the InChIKey of 5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is CVSNBAUUOLTWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-2-14-17-5-6-20(14)10-7-19-8-11-21(12-9-19)16(23)13-3-4-15(22)18-13/h5-6,13H,2-4,7-12H2,1H3,(H,18,22).
What are the key properties of 5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90561459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).