(4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C16H25N5O2 — CID 129478630

IUPAC(4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](C(=O)N2CCN(C)[C@H](c3nccn3C)C2)CC1=O
InChIInChI=1S/C16H25N5O2/c1-4-20-10-12(9-14(20)22)16(23)21-8-7-18(2)13(11-21)15-17-5-6-19(15)3/h5-6,12-13H,4,7-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyIUFBLUGAAIYSOR-STQMWFEESA-N
MW319.41 g/mol
LogP0.10
Rot. Bonds3

About (4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

(4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 129478630) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID129478630
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](C(=O)N2CCN(C)[C@H](c3nccn3C)C2)CC1=O
InChIInChI=1S/C16H25N5O2/c1-4-20-10-12(9-14(20)22)16(23)21-8-7-18(2)13(11-21)15-17-5-6-19(15)3/h5-6,12-13H,4,7-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyIUFBLUGAAIYSOR-STQMWFEESA-N
XLogP0.10
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-ethyl-4-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46972610
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97150099
[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
CID 129340377
1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 128972958
(4R)-1-ethyl-4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 97147763
(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97153223
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129329650
(2S)-2-methyl-1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 129478886
(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129341721
(4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478872
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128997376
1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613

Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 129478630) is (4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is CCN1C[C@@H](C(=O)N2CCN(C)[C@H](c3nccn3C)C2)CC1=O.
What is the InChIKey of (4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is IUFBLUGAAIYSOR-STQMWFEESA-N. The full InChI is InChI=1S/C16H25N5O2/c1-4-20-10-12(9-14(20)22)16(23)21-8-7-18(2)13(11-21)15-17-5-6-19(15)3/h5-6,12-13H,4,7-11H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-4-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 129478630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).