(4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone

C16H23N3O2 — CID 104614674

IUPAC(4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
SMILESCCOC1CCN(C(=O)c2cccc3c2NCCN3)CC1
InChIInChI=1S/C16H23N3O2/c1-2-21-12-6-10-19(11-7-12)16(20)13-4-3-5-14-15(13)18-9-8-17-14/h3-5,12,17-18H,2,6-11H2,1H3
InChIKeyXDBGLTNKUXKJCK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.17
Rot. Bonds3

About (4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone

(4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone (PubChem CID 104614674) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone.

Molecular Properties

Compound Name(4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
PubChem CID104614674
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
SMILESCCOC1CCN(C(=O)c2cccc3c2NCCN3)CC1
InChIInChI=1S/C16H23N3O2/c1-2-21-12-6-10-19(11-7-12)16(20)13-4-3-5-14-15(13)18-9-8-17-14/h3-5,12,17-18H,2,6-11H2,1H3
InChIKeyXDBGLTNKUXKJCK-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 103533851
(3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 106669665
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424
(2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 104689965
(4-ethoxypiperidin-1-yl)-imidazo[1,2-a]pyridin-8-ylmethanone
CID 71880449
1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one
CID 104615092
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
(4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone
CID 81242899
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 104615194
(3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 107392798
[2-(4-bromophenyl)sulfanyl-3-pyridinyl]-(4-ethoxypiperidin-1-yl)methanone
CID 55976720
(4-ethoxypiperidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105068895

Frequently Asked Questions

What is the IUPAC name of (4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The IUPAC name of (4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone (CID 104614674) is (4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone.
What is the SMILES notation for (4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The canonical SMILES for (4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone is CCOC1CCN(C(=O)c2cccc3c2NCCN3)CC1.
What is the InChIKey of (4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The InChIKey is XDBGLTNKUXKJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-21-12-6-10-19(11-7-12)16(20)13-4-3-5-14-15(13)18-9-8-17-14/h3-5,12,17-18H,2,6-11H2,1H3.
What are the key properties of (4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
(4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone is sourced from PubChem (CID 104614674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).