(2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone

C16H23N3O — CID 107356172

IUPAC(2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
SMILESCC1CCCN(C(=O)C2CNc3ccccc3N2)C1C
InChIInChI=1S/C16H23N3O/c1-11-6-5-9-19(12(11)2)16(20)15-10-17-13-7-3-4-8-14(13)18-15/h3-4,7-8,11-12,15,17-18H,5-6,9-10H2,1-2H3
InChIKeyPSXKTKUHQDHZKF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.54
Rot. Bonds1

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

(2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone (PubChem CID 107356172) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
PubChem CID107356172
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
SMILESCC1CCCN(C(=O)C2CNc3ccccc3N2)C1C
InChIInChI=1S/C16H23N3O/c1-11-6-5-9-19(12(11)2)16(20)15-10-17-13-7-3-4-8-14(13)18-15/h3-4,7-8,11-12,15,17-18H,5-6,9-10H2,1-2H3
InChIKeyPSXKTKUHQDHZKF-UHFFFAOYSA-N
XLogP2.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone with MolForge

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Related Compounds

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356403
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356320
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356029
(2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356026
1-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperidine-4-carboxamide
CID 107355898
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356430
1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-2-carbonyl)piperazin-2-one
CID 107356256
[3-(hydroxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356023
2,3-dimethylpiperidine-1-carbonyl chloride
CID 79886901
N-(2-hydroxycyclohexyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356408
(2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908807
5-(2,3-dimethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 62122760

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The IUPAC name of (2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone (CID 107356172) is (2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone.
What is the SMILES notation for (2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The canonical SMILES for (2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone is CC1CCCN(C(=O)C2CNc3ccccc3N2)C1C.
What is the InChIKey of (2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The InChIKey is PSXKTKUHQDHZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-6-5-9-19(12(11)2)16(20)15-10-17-13-7-3-4-8-14(13)18-15/h3-4,7-8,11-12,15,17-18H,5-6,9-10H2,1-2H3.
What are the key properties of (2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
(2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone is sourced from PubChem (CID 107356172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).