2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline

C19H25N3O — CID 126819749

IUPAC2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline
SMILESc1ccc2nc(CN3CCC(OC4CCCC4)CC3)cnc2c1
InChIInChI=1S/C19H25N3O/c1-2-6-16(5-1)23-17-9-11-22(12-10-17)14-15-13-20-18-7-3-4-8-19(18)21-15/h3-4,7-8,13,16-17H,1-2,5-6,9-12,14H2
InChIKeyXRLAZGRSRMOAJK-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.55
Rot. Bonds4

About 2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline

2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline (PubChem CID 126819749) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline.

Molecular Properties

Compound Name2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline
PubChem CID126819749
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline
SMILESc1ccc2nc(CN3CCC(OC4CCCC4)CC3)cnc2c1
InChIInChI=1S/C19H25N3O/c1-2-6-16(5-1)23-17-9-11-22(12-10-17)14-15-13-20-18-7-3-4-8-19(18)21-15/h3-4,7-8,13,16-17H,1-2,5-6,9-12,14H2
InChIKeyXRLAZGRSRMOAJK-UHFFFAOYSA-N
XLogP3.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]quinoxaline
CID 173270392
1-(quinoxalin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3611610
2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 167746759
5-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120899557
4-cyclohexyloxy-1-(furan-2-ylmethyl)piperidine
CID 75439086
2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol
CID 95632037
4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 86873877
7-(quinoxalin-2-ylmethyl)-4,7-diazatricyclo[6.2.0.01,4]decane
CID 143022371
4-[(4-quinoxalin-2-yloxypiperidin-1-yl)methyl]-1H-pyridin-2-one
CID 166250918
1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 126820172
2-[1-(quinoxalin-2-ylmethyl)azepan-2-yl]-1-thiophen-2-ylethanol
CID 136552433
(1S,5S)-9-(1-methylimidazol-2-yl)-3-(quinoxalin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064363

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline?
The IUPAC name of 2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline (CID 126819749) is 2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline.
What is the SMILES notation for 2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline?
The canonical SMILES for 2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline is c1ccc2nc(CN3CCC(OC4CCCC4)CC3)cnc2c1.
What is the InChIKey of 2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline?
The InChIKey is XRLAZGRSRMOAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-6-16(5-1)23-17-9-11-22(12-10-17)14-15-13-20-18-7-3-4-8-19(18)21-15/h3-4,7-8,13,16-17H,1-2,5-6,9-12,14H2.
What are the key properties of 2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline?
2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline has a molecular weight of 311.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline is sourced from PubChem (CID 126819749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).