4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

C21H29N3O2 — CID 55471281

IUPAC4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C(CN1CCCCCCC1)N1c2ccccc2NC(=O)C12CCCC2
InChIInChI=1S/C21H29N3O2/c25-19(16-23-14-8-2-1-3-9-15-23)24-18-11-5-4-10-17(18)22-20(26)21(24)12-6-7-13-21/h4-5,10-11H,1-3,6-9,12-16H2,(H,22,26)
InChIKeyMPSXDBUKRLPISS-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.55
Rot. Bonds2

About 4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 55471281) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
PubChem CID55471281
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C(CN1CCCCCCC1)N1c2ccccc2NC(=O)C12CCCC2
InChIInChI=1S/C21H29N3O2/c25-19(16-23-14-8-2-1-3-9-15-23)24-18-11-5-4-10-17(18)22-20(26)21(24)12-6-7-13-21/h4-5,10-11H,1-3,6-9,12-16H2,(H,22,26)
InChIKeyMPSXDBUKRLPISS-UHFFFAOYSA-N
XLogP3.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Propanoyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 8551010
4-Benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
3,3-dimethyl-1-prop-2-enyl-4H-quinoxalin-2-one
CID 648713
3-((dimethylamino)methyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one
CID 45271143
3-(pyrrolidin-1-ylmethyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one
CID 45272045
4-(2-Benzylaminoacetyl)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 2436038
(3-Anilinopiperidin-1-yl)-cyclopentylmethanone
CID 24819325
3,3-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)-4H-quinoxalin-2-one
CID 1910345
4-(2-(p-tolyl)acetyl)-3,4-dihydroquinoxalin-2(1H)-one
CID 16864023
4-[2-(Dipropylamino)acetyl]-1,3-dihydroquinoxalin-2-one
CID 283537
4-Acetyl-3,3-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 763771
4-(cyclopropanecarbonyl)-3,4-dihydroquinoxalin-2(1H)-one
CID 2457243

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (CID 55471281) is 4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is O=C(CN1CCCCCCC1)N1c2ccccc2NC(=O)C12CCCC2.
What is the InChIKey of 4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is MPSXDBUKRLPISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-19(16-23-14-8-2-1-3-9-15-23)24-18-11-5-4-10-17(18)22-20(26)21(24)12-6-7-13-21/h4-5,10-11H,1-3,6-9,12-16H2,(H,22,26).
What are the key properties of 4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 355.48 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 55471281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).