1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide

C17H18N4O2 — CID 78784791

IUPAC1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)/C=C/c2cnc3ccccc3n2)C1
InChIInChI=1S/C17H18N4O2/c18-17(23)12-4-3-9-21(11-12)16(22)8-7-13-10-19-14-5-1-2-6-15(14)20-13/h1-2,5-8,10,12H,3-4,9,11H2,(H2,18,23)/b8-7+
InChIKeyXCWRUDZSICRRPJ-BQYQJAHWSA-N
MW310.36 g/mol
LogP1.37
Rot. Bonds3

About 1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide

1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide (PubChem CID 78784791) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide
PubChem CID78784791
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)/C=C/c2cnc3ccccc3n2)C1
InChIInChI=1S/C17H18N4O2/c18-17(23)12-4-3-9-21(11-12)16(22)8-7-13-10-19-14-5-1-2-6-15(14)20-13/h1-2,5-8,10,12H,3-4,9,11H2,(H2,18,23)/b8-7+
InChIKeyXCWRUDZSICRRPJ-BQYQJAHWSA-N
XLogP1.37
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.37
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)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 36511505
(3S)-1-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperidine-3-carboxamide
CID 9119006
1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 71903618
(Z)-1-[(3R)-3-anilinopyrrolidin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 98499166
1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid
CID 167868580
1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide
CID 18159123
1-[3-(1,3-benzoxazol-2-yl)prop-2-enoyl]pyrrolidine-3-carboxamide
CID 126766527
N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide
CID 39701776
(3R)-1-[(Z)-3-(2-bromophenyl)prop-2-enoyl]pyrrolidine-3-carboxamide
CID 97456076
(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide
CID 56817914
(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 33014689
(3S)-1-[(Z)-3-(2-chlorophenyl)but-2-enoyl]piperidine-3-carboxamide
CID 95298160

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide (CID 78784791) is 1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)/C=C/c2cnc3ccccc3n2)C1.
What is the InChIKey of 1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide?
The InChIKey is XCWRUDZSICRRPJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H18N4O2/c18-17(23)12-4-3-9-21(11-12)16(22)8-7-13-10-19-14-5-1-2-6-15(14)20-13/h1-2,5-8,10,12H,3-4,9,11H2,(H2,18,23)/b8-7+.
What are the key properties of 1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide?
1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide is sourced from PubChem (CID 78784791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).