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

C21H29N3O3 — CID 86825126

IUPAC4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESCN(CC(=O)N1c2ccccc2NC(=O)C12CCCC2)CC1CCCCO1
InChIInChI=1S/C21H29N3O3/c1-23(14-16-8-4-7-13-27-16)15-19(25)24-18-10-3-2-9-17(18)22-20(26)21(24)11-5-6-12-21/h2-3,9-10,16H,4-8,11-15H2,1H3,(H,22,26)
InChIKeyWQIVEULTUKBETE-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.79
Rot. Bonds4

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

4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 86825126) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
PubChem CID86825126
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESCN(CC(=O)N1c2ccccc2NC(=O)C12CCCC2)CC1CCCCO1
InChIInChI=1S/C21H29N3O3/c1-23(14-16-8-4-7-13-27-16)15-19(25)24-18-10-3-2-9-17(18)22-20(26)21(24)11-5-6-12-21/h2-3,9-10,16H,4-8,11-15H2,1H3,(H,22,26)
InChIKeyWQIVEULTUKBETE-UHFFFAOYSA-N
XLogP2.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 86894645
4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470601
4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55591318
4-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470154
4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride
CID 120774269
1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61431968
4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471943
1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432503
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 55458273
4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471388
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-methylthiophene-2-carboxylate
CID 55458377
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 55458310

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (CID 86825126) is 4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is CN(CC(=O)N1c2ccccc2NC(=O)C12CCCC2)CC1CCCCO1.
What is the InChIKey of 4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is WQIVEULTUKBETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-23(14-16-8-4-7-13-27-16)15-19(25)24-18-10-3-2-9-17(18)22-20(26)21(24)11-5-6-12-21/h2-3,9-10,16H,4-8,11-15H2,1H3,(H,22,26).
What are the key properties of 4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 371.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 86825126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).