ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate

C18H23N3O4 — CID 7374839

IUPACethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C18H23N3O4/c1-2-25-18(24)20-10-8-19(9-11-20)17(23)14-12-16(22)21(13-14)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3/t14-/m1/s1
InChIKeyBOCIGXRPLHSNLX-CQSZACIVSA-N
MW345.40 g/mol
LogP1.34
Rot. Bonds3

About ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 7374839) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
PubChem CID7374839
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Nameethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C18H23N3O4/c1-2-25-18(24)20-10-8-19(9-11-20)17(23)14-12-16(22)21(13-14)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3/t14-/m1/s1
InChIKeyBOCIGXRPLHSNLX-CQSZACIVSA-N
XLogP1.34
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(3S)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 51935377
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110629361
4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 47004545
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
ethyl 2-[4-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoacetate
CID 29127383
4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110610513
ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113190556
ethyl 4-[2-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxyacetyl]piperazine-1-carboxylate
CID 42970092
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
(4S)-4-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29132030

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate (CID 7374839) is ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1.
What is the InChIKey of ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is BOCIGXRPLHSNLX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-25-18(24)20-10-8-19(9-11-20)17(23)14-12-16(22)21(13-14)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3/t14-/m1/s1.
What are the key properties of ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 7374839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).