1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one

C17H19N3O — CID 71903618

IUPAC1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one
SMILESCC1CCCCN1C(=O)C=Cc1cnc2ccccc2n1
InChIInChI=1S/C17H19N3O/c1-13-6-4-5-11-20(13)17(21)10-9-14-12-18-15-7-2-3-8-16(15)19-14/h2-3,7-10,12-13H,4-6,11H2,1H3
InChIKeyPOSFGJAUWVQHAV-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.04
Rot. Bonds2

About 1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one

1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one (PubChem CID 71903618) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one
PubChem CID71903618
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one
SMILESCC1CCCCN1C(=O)C=Cc1cnc2ccccc2n1
InChIInChI=1S/C17H19N3O/c1-13-6-4-5-11-20(13)17(21)10-9-14-12-18-15-7-2-3-8-16(15)19-14/h2-3,7-10,12-13H,4-6,11H2,1H3
InChIKeyPOSFGJAUWVQHAV-UHFFFAOYSA-N
XLogP3.04
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 36511505
1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 78784791
(Z)-1-[(3R)-3-anilinopyrrolidin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 98499166
(E)-1-[(2S,4S)-4-fluoro-2-(methylaminomethyl)pyrrolidin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 167773498
N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 95296071
3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 2931190
(E)-3-(3-aminophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 115342584
N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide
CID 39701776
1-[2-(aminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one
CID 126782984
3-(5-bromothiophen-2-yl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 78770488
(E)-3-(4-ethoxyphenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 42905212
(E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one
CID 129009156

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one (CID 71903618) is 1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one is CC1CCCCN1C(=O)C=Cc1cnc2ccccc2n1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one?
The InChIKey is POSFGJAUWVQHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-6-4-5-11-20(13)17(21)10-9-14-12-18-15-7-2-3-8-16(15)19-14/h2-3,7-10,12-13H,4-6,11H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one?
1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one has a molecular weight of 281.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one is sourced from PubChem (CID 71903618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).