1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one

C20H27N3O5 — CID 110346317

IUPAC1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCN1CC(C(=O)N2CCN(C(=O)COc3ccccc3)CC2)CC1=O
InChIInChI=1S/C20H27N3O5/c1-27-12-11-23-14-16(13-18(23)24)20(26)22-9-7-21(8-10-22)19(25)15-28-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3
InChIKeyGJRCOFIGJQJZIZ-UHFFFAOYSA-N
MW389.45 g/mol
LogP0.23
Rot. Bonds7

About 1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110346317) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID110346317
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCN1CC(C(=O)N2CCN(C(=O)COc3ccccc3)CC2)CC1=O
InChIInChI=1S/C20H27N3O5/c1-27-12-11-23-14-16(13-18(23)24)20(26)22-9-7-21(8-10-22)19(25)15-28-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3
InChIKeyGJRCOFIGJQJZIZ-UHFFFAOYSA-N
XLogP0.23
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346315
4-[4-[2-(4-methylphenoxy)acetyl]piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346269
4-[4-(2-phenoxyacetyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108546365
(4S)-1-(2-methoxyethyl)-4-[4-(2-methylphenyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 96576029
1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 42652011
1-benzyl-4-[4-(3-phenoxypropanoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546298
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
(4R)-1-(2-methoxyethyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94047218
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 110346325
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methoxypropyl)pyrrolidin-2-one
CID 113182538

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 110346317) is 1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one is COCCN1CC(C(=O)N2CCN(C(=O)COc3ccccc3)CC2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is GJRCOFIGJQJZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-27-12-11-23-14-16(13-18(23)24)20(26)22-9-7-21(8-10-22)19(25)15-28-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 389.45 g/mol, XLogP of 0.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110346317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).