[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone

C16H23N3O2 — CID 107356430

IUPAC[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
SMILESCOCC1CCCN(C(=O)C2CNc3ccccc3N2)C1
InChIInChI=1S/C16H23N3O2/c1-21-11-12-5-4-8-19(10-12)16(20)15-9-17-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,15,17-18H,4-5,8-11H2,1H3
InChIKeyPRBZWDUIQUNUAW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.78
Rot. Bonds3

About [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone

[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone (PubChem CID 107356430) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
PubChem CID107356430
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
SMILESCOCC1CCCN(C(=O)C2CNc3ccccc3N2)C1
InChIInChI=1S/C16H23N3O2/c1-21-11-12-5-4-8-19(10-12)16(20)15-9-17-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,15,17-18H,4-5,8-11H2,1H3
InChIKeyPRBZWDUIQUNUAW-UHFFFAOYSA-N
XLogP1.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356023
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106586999
[(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597075
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 90505007
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765514
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591703
[3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322524
1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one
CID 107356256
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356403
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796550

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone (CID 107356430) is [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone.
What is the SMILES notation for [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone is COCC1CCCN(C(=O)C2CNc3ccccc3N2)C1.
What is the InChIKey of [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The InChIKey is PRBZWDUIQUNUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-11-12-5-4-8-19(10-12)16(20)15-9-17-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,15,17-18H,4-5,8-11H2,1H3.
What are the key properties of [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone is sourced from PubChem (CID 107356430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).