4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

C22H25N3O2S — CID 55591318

IUPAC4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C(CN(Cc1cccs1)C1CC1)N1c2ccccc2NC(=O)C12CCCC2
InChIInChI=1S/C22H25N3O2S/c26-20(15-24(16-9-10-16)14-17-6-5-13-28-17)25-19-8-2-1-7-18(19)23-21(27)22(25)11-3-4-12-22/h1-2,5-8,13,16H,3-4,9-12,14-15H2,(H,23,27)
InChIKeyRHILWFHNYIPVSV-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.01
Rot. Bonds5

About 4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 55591318) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
PubChem CID55591318
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C(CN(Cc1cccs1)C1CC1)N1c2ccccc2NC(=O)C12CCCC2
InChIInChI=1S/C22H25N3O2S/c26-20(15-24(16-9-10-16)14-17-6-5-13-28-17)25-19-8-2-1-7-18(19)23-21(27)22(25)11-3-4-12-22/h1-2,5-8,13,16H,3-4,9-12,14-15H2,(H,23,27)
InChIKeyRHILWFHNYIPVSV-UHFFFAOYSA-N
XLogP4.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one with MolForge

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Related Compounds

4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 86825126
4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470601
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide
CID 134001299
1-O-methyl 2-O-[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] benzene-1,2-dicarboxylate
CID 56505639
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470222
1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 54948428
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-sulfamoylthiophene-3-carboxylate
CID 55459441
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-methylthiophene-2-carboxylate
CID 55458377
4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471943
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62030102

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (CID 55591318) is 4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is O=C(CN(Cc1cccs1)C1CC1)N1c2ccccc2NC(=O)C12CCCC2.
What is the InChIKey of 4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is RHILWFHNYIPVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c26-20(15-24(16-9-10-16)14-17-6-5-13-28-17)25-19-8-2-1-7-18(19)23-21(27)22(25)11-3-4-12-22/h1-2,5-8,13,16H,3-4,9-12,14-15H2,(H,23,27).
What are the key properties of 4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 395.53 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 55591318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).