piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone

C21H31N3O — CID 146356886

IUPACpiperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone
SMILESO=C(c1ccc2c(c1)NCC1(CCCCCCC1)N2)N1CCCCC1
InChIInChI=1S/C21H31N3O/c25-20(24-13-7-4-8-14-24)17-9-10-18-19(15-17)22-16-21(23-18)11-5-2-1-3-6-12-21/h9-10,15,22-23H,1-8,11-14,16H2
InChIKeyHJQPVAVBOCALAV-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.63
Rot. Bonds1

About piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone

piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone (PubChem CID 146356886) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone
PubChem CID146356886
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Namepiperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone
SMILESO=C(c1ccc2c(c1)NCC1(CCCCCCC1)N2)N1CCCCC1
InChIInChI=1S/C21H31N3O/c25-20(24-13-7-4-8-14-24)17-9-10-18-19(15-17)22-16-21(23-18)11-5-2-1-3-6-12-21/h9-10,15,22-23H,1-8,11-14,16H2
InChIKeyHJQPVAVBOCALAV-UHFFFAOYSA-N
XLogP4.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 96599561
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615061
7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
CID 115502365
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
4,4-dimethyl-6-(pyrrolidine-1-carbonyl)-1,3-dihydroquinolin-2-one
CID 100815471
(2R)-6-(azepane-1-carbonyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 7779318
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone?
The IUPAC name of piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone (CID 146356886) is piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone.
What is the SMILES notation for piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone?
The canonical SMILES for piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone is O=C(c1ccc2c(c1)NCC1(CCCCCCC1)N2)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone?
The InChIKey is HJQPVAVBOCALAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c25-20(24-13-7-4-8-14-24)17-9-10-18-19(15-17)22-16-21(23-18)11-5-2-1-3-6-12-21/h9-10,15,22-23H,1-8,11-14,16H2.
What are the key properties of piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone?
piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone has a molecular weight of 341.50 g/mol, XLogP of 4.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone is sourced from PubChem (CID 146356886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).