1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone

C26H28N4O — CID 145185112

IUPAC1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](CCc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1
InChIInChI=1S/C26H28N4O/c1-18(31)30-12-3-4-19(17-30)5-6-20-14-23(26-24(15-20)27-10-11-28-26)22-8-7-21-9-13-29(2)25(21)16-22/h7-11,13-16,19H,3-6,12,17H2,1-2H3/t19-/m1/s1
InChIKeyOKWSSYUIIITOLM-LJQANCHMSA-N
MW412.54 g/mol
LogP4.98
Rot. Bonds4

About 1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone

1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone (PubChem CID 145185112) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone
PubChem CID145185112
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](CCc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1
InChIInChI=1S/C26H28N4O/c1-18(31)30-12-3-4-19(17-30)5-6-20-14-23(26-24(15-20)27-10-11-28-26)22-8-7-21-9-13-29(2)25(21)16-22/h7-11,13-16,19H,3-6,12,17H2,1-2H3/t19-/m1/s1
InChIKeyOKWSSYUIIITOLM-LJQANCHMSA-N
XLogP4.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone 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

N-(1-acetylpiperidin-3-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxamide
CID 122690595
8-(1-methylindol-6-yl)-N-[1-(1-methylpiperidin-3-yl)-2H-pyridin-3-yl]quinoxalin-6-amine
CID 175860569
1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 110269115
N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide
CID 158436803
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide
CID 122690617
8-(1-methylindol-5-yl)-N-(piperidin-2-ylmethyl)quinoxalin-6-amine
CID 122688970
N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 122689013
ethane;N-[(Z)-2-(ethylideneamino)-1-(1-methylpiperidin-4-yl)but-2-enyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 145185125
8-(1-methylindol-6-yl)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 122689414
8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine
CID 122689036
2-(2-aminopyrimidin-4-yl)-3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]pyridine-4-carboxylic acid
CID 122690911
8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine
CID 122689287

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone (CID 145185112) is 1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](CCc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1.
What is the InChIKey of 1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is OKWSSYUIIITOLM-LJQANCHMSA-N. The full InChI is InChI=1S/C26H28N4O/c1-18(31)30-12-3-4-19(17-30)5-6-20-14-23(26-24(15-20)27-10-11-28-26)22-8-7-21-9-13-29(2)25(21)16-22/h7-11,13-16,19H,3-6,12,17H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 412.54 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[2-[8-(1-methylindol-6-yl)quinoxalin-6-yl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 145185112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).