methyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate

C19H23N3O5 — CID 43011898

IUPACmethyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H23N3O5/c1-27-17(24)10-15-18(25)20-7-8-22(15)19(26)14-9-16(23)21(12-14)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,20,25)
InChIKeyNTAUTMXHTSIRFI-UHFFFAOYSA-N
MW373.41 g/mol
LogP-0.07
Rot. Bonds5

About methyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate

methyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 43011898) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate
PubChem CID43011898
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Namemethyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H23N3O5/c1-27-17(24)10-15-18(25)20-7-8-22(15)19(26)14-9-16(23)21(12-14)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,20,25)
InChIKeyNTAUTMXHTSIRFI-UHFFFAOYSA-N
XLogP-0.07
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
methyl 2-[(2S)-1-[(1S)-cyclohex-3-ene-1-carbonyl]-3-oxopiperazin-2-yl]acetate
CID 38870603
methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005065
methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate
CID 43886925
methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
CID 34534079
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 119137735
methyl 2-[3-oxo-1-(3-phenylprop-2-enoylcarbamothioyl)piperazin-2-yl]acetate
CID 4927019
tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
methyl 2-[(2S)-1-[2-(benzylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560174
methyl 2-[(2R)-1-[(3-chlorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231928
methyl 2-[(2S)-3-oxo-1-[(4-phenylbenzoyl)carbamothioyl]piperazin-2-yl]acetate
CID 7393662

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate (CID 43011898) is methyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1C(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of methyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is NTAUTMXHTSIRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-27-17(24)10-15-18(25)20-7-8-22(15)19(26)14-9-16(23)21(12-14)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,20,25).
What are the key properties of methyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate?
methyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 373.41 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 43011898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).