(4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one

C17H25N3O3S — CID 125160982

IUPAC(4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one
SMILESCOCCN1C[C@@H](CN2CCN(C(=O)c3cccs3)CC2)CC1=O
InChIInChI=1S/C17H25N3O3S/c1-23-9-8-20-13-14(11-16(20)21)12-18-4-6-19(7-5-18)17(22)15-3-2-10-24-15/h2-3,10,14H,4-9,11-13H2,1H3/t14-/m1/s1
InChIKeyFOPVCAQFZVWYNF-CQSZACIVSA-N
MW351.47 g/mol
LogP1.00
Rot. Bonds6

About (4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one

(4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 125160982) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is (4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one
PubChem CID125160982
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name(4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one
SMILESCOCCN1C[C@@H](CN2CCN(C(=O)c3cccs3)CC2)CC1=O
InChIInChI=1S/C17H25N3O3S/c1-23-9-8-20-13-14(11-16(20)21)12-18-4-6-19(7-5-18)17(22)15-3-2-10-24-15/h2-3,10,14H,4-9,11-13H2,1H3/t14-/m1/s1
InChIKeyFOPVCAQFZVWYNF-CQSZACIVSA-N
XLogP1.00
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-4-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125162852
4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 118772829
(4S)-4-[[4-(2,5-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125169632
(5R)-2-(2-methoxyethyl)-9-(thiophene-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897395
(4R)-1-(2-methoxyethyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrolidin-2-one
CID 125166349
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
[4-(3-phenoxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 78809997
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-[[(1S)-cyclohex-3-en-1-yl]methyl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 97159509
[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 86977989
1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108741159
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one (CID 125160982) is (4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one is COCCN1C[C@@H](CN2CCN(C(=O)c3cccs3)CC2)CC1=O.
What is the InChIKey of (4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is FOPVCAQFZVWYNF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-23-9-8-20-13-14(11-16(20)21)12-18-4-6-19(7-5-18)17(22)15-3-2-10-24-15/h2-3,10,14H,4-9,11-13H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one?
(4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 351.47 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-methoxyethyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 125160982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).