(E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide

C22H22N4O — CID 29292187

IUPAC(E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C22H22N4O/c27-22(13-12-17-16-23-18-8-2-3-9-19(18)24-17)25-20-10-4-5-11-21(20)26-14-6-1-7-15-26/h2-5,8-13,16H,1,6-7,14-15H2,(H,25,27)/b13-12+
InChIKeyRTEJCTIOFYGIKZ-OUKQBFOZSA-N
MW358.45 g/mol
LogP4.27
Rot. Bonds4

About (E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide

(E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 29292187) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is (E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID29292187
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name(E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C22H22N4O/c27-22(13-12-17-16-23-18-8-2-3-9-19(18)24-17)25-20-10-4-5-11-21(20)26-14-6-1-7-15-26/h2-5,8-13,16H,1,6-7,14-15H2,(H,25,27)/b13-12+
InChIKeyRTEJCTIOFYGIKZ-OUKQBFOZSA-N
XLogP4.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide
CID 75363586
(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 26520222
(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17444738
N-(2-propan-2-ylpyrazol-3-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78772196
N-cyclopropyl-4-[(E)-3-oxo-3-(2-piperidin-1-ylanilino)prop-1-enyl]benzamide
CID 46604384
(E)-N-(2-pyrrolidin-1-ylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 35358115
(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 7550935
(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26086334
3-(4-chloro-3-nitrophenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 1302629
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
(E)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 87032419
(E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 36511505

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide (CID 29292187) is (E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide is O=C(/C=C/c1cnc2ccccc2n1)Nc1ccccc1N1CCCCC1.
What is the InChIKey of (E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is RTEJCTIOFYGIKZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H22N4O/c27-22(13-12-17-16-23-18-8-2-3-9-19(18)24-17)25-20-10-4-5-11-21(20)26-14-6-1-7-15-26/h2-5,8-13,16H,1,6-7,14-15H2,(H,25,27)/b13-12+.
What are the key properties of (E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 358.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 29292187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).