1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C16H25N5O2 — CID 128972958

IUPAC1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCN(CC)C(c3ncc[nH]3)C2)CC1=O
InChIInChI=1S/C16H25N5O2/c1-3-19-7-8-21(11-13(19)15-17-5-6-18-15)16(23)12-9-14(22)20(4-2)10-12/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,17,18)
InChIKeyNLTPZFTWZULIBF-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.48
Rot. Bonds4

About 1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 128972958) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID128972958
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1CC(C(=O)N2CCN(CC)C(c3ncc[nH]3)C2)CC1=O
InChIInChI=1S/C16H25N5O2/c1-3-19-7-8-21(11-13(19)15-17-5-6-18-15)16(23)12-9-14(22)20(4-2)10-12/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,17,18)
InChIKeyNLTPZFTWZULIBF-UHFFFAOYSA-N
XLogP0.48
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R)-2-cyclopropylcyclopropyl]-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 129338372
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 128997843
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129329971
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 129330524
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 129006467
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
CID 129334597
(2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 128974600
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 128966110
5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile
CID 136543974
5-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 128994735
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129338090
3-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 167822537

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 128972958) is 1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is CCN1CC(C(=O)N2CCN(CC)C(c3ncc[nH]3)C2)CC1=O.
What is the InChIKey of 1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is NLTPZFTWZULIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-3-19-7-8-21(11-13(19)15-17-5-6-18-15)16(23)12-9-14(22)20(4-2)10-12/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,17,18).
What are the key properties of 1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 128972958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).