4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C18H25Cl2N3O2 — CID 118772829

IUPAC4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(CN2CCN(c3cccc(Cl)c3Cl)CC2)CC1=O
InChIInChI=1S/C18H25Cl2N3O2/c1-25-10-9-23-13-14(11-17(23)24)12-21-5-7-22(8-6-21)16-4-2-3-15(19)18(16)20/h2-4,14H,5-13H2,1H3
InChIKeyOWFBVARWGNUPMJ-UHFFFAOYSA-N
MW386.32 g/mol
LogP2.61
Rot. Bonds6

About 4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 118772829) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID118772829
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC Name4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(CN2CCN(c3cccc(Cl)c3Cl)CC2)CC1=O
InChIInChI=1S/C18H25Cl2N3O2/c1-25-10-9-23-13-14(11-17(23)24)12-21-5-7-22(8-6-21)16-4-2-3-15(19)18(16)20/h2-4,14H,5-13H2,1H3
InChIKeyOWFBVARWGNUPMJ-UHFFFAOYSA-N
XLogP2.61
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[[4-(2,5-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125169632
(4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125162852
(4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 125160982
(4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one
CID 125166349
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 155980992
1-[2-chloro-3-(difluoromethoxy)phenyl]-4-(2-methoxyethyl)piperazine
CID 67532009
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
tert-butyl N-[4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]cyclohexyl]carbamate
CID 72736382
(4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125163006
2-[5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]isoindole-1,3-dione
CID 155034814
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 118772829) is 4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CC(CN2CCN(c3cccc(Cl)c3Cl)CC2)CC1=O.
What is the InChIKey of 4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is OWFBVARWGNUPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O2/c1-25-10-9-23-13-14(11-17(23)24)12-21-5-7-22(8-6-21)16-4-2-3-15(19)18(16)20/h2-4,14H,5-13H2,1H3.
What are the key properties of 4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 386.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 118772829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).