(5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one

C20H25N3O3 — CID 96571070

IUPAC(5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one
SMILESCCCC[C@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1ccc[nH]1
InChIInChI=1S/C20H25N3O3/c1-3-4-8-15-13-23(17-10-5-6-11-18(17)26-2)19(24)14-22(15)20(25)16-9-7-12-21-16/h5-7,9-12,15,21H,3-4,8,13-14H2,1-2H3/t15-/m0/s1
InChIKeyWHPAFFIXWGEELW-HNNXBMFYSA-N
MW355.44 g/mol
LogP3.07
Rot. Bonds6

About (5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one

(5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one (PubChem CID 96571070) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one
PubChem CID96571070
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one
SMILESCCCC[C@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1ccc[nH]1
InChIInChI=1S/C20H25N3O3/c1-3-4-8-15-13-23(17-10-5-6-11-18(17)26-2)19(24)14-22(15)20(25)16-9-7-12-21-16/h5-7,9-12,15,21H,3-4,8,13-14H2,1-2H3/t15-/m0/s1
InChIKeyWHPAFFIXWGEELW-HNNXBMFYSA-N
XLogP3.07
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one with MolForge

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Related Compounds

5-butyl-1-(2-methoxyphenyl)-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 70741349
(5R)-5-butyl-1-(4-chlorophenyl)-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
CID 96571045
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
(5S)-4-acetyl-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 96572578
(5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one
CID 96575287
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 70740670
1-[2-butyl-5-oxo-4-(3-phenylphenyl)piperazin-1-yl]propane-1,2-dione
CID 70730178
4-[3-(3,5-dimethylpyrazolidin-4-yl)propanoyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 134064007
[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128985416
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551

Frequently Asked Questions

What is the IUPAC name of (5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one?
The IUPAC name of (5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one (CID 96571070) is (5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one?
The canonical SMILES for (5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one is CCCC[C@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1ccc[nH]1.
What is the InChIKey of (5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one?
The InChIKey is WHPAFFIXWGEELW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-4-8-15-13-23(17-10-5-6-11-18(17)26-2)19(24)14-22(15)20(25)16-9-7-12-21-16/h5-7,9-12,15,21H,3-4,8,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one?
(5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one has a molecular weight of 355.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-butyl-1-(2-methoxyphenyl)-4-(1H-pyrrole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 96571070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).