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

C18H20N4O — CID 75363586

IUPAC(E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnccn1)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C18H20N4O/c23-18(9-8-15-14-19-10-11-20-15)21-16-6-2-3-7-17(16)22-12-4-1-5-13-22/h2-3,6-11,14H,1,4-5,12-13H2,(H,21,23)/b9-8+
InChIKeyAYWWXNRNEWLKOX-CMDGGOBGSA-N
MW308.39 g/mol
LogP3.12
Rot. Bonds4

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

(E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide (PubChem CID 75363586) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is (E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide
PubChem CID75363586
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name(E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnccn1)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C18H20N4O/c23-18(9-8-15-14-19-10-11-20-15)21-16-6-2-3-7-17(16)22-12-4-1-5-13-22/h2-3,6-11,14H,1,4-5,12-13H2,(H,21,23)/b9-8+
InChIKeyAYWWXNRNEWLKOX-CMDGGOBGSA-N
XLogP3.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.12
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-quinoxalin-2-ylprop-2-enamide
CID 29292187
N-[4-(azepane-1-carbonyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
CID 71889289
(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 26520222
(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 7550935
N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
CID 71889315
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179
(E)-N-(2-pyrrolidin-1-ylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 35358115
(E)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide
CID 55736429
3-(4-chloro-3-nitrophenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 1302629
N-cyclopropyl-4-[(E)-3-oxo-3-(2-piperidin-1-ylanilino)prop-1-enyl]benzamide
CID 46604384
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
(E)-N-[2-(azepan-1-yl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 24652753

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide (CID 75363586) is (E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide is O=C(/C=C/c1cnccn1)Nc1ccccc1N1CCCCC1.
What is the InChIKey of (E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide?
The InChIKey is AYWWXNRNEWLKOX-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(9-8-15-14-19-10-11-20-15)21-16-6-2-3-7-17(16)22-12-4-1-5-13-22/h2-3,6-11,14H,1,4-5,12-13H2,(H,21,23)/b9-8+.
What are the key properties of (E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide?
(E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide has a molecular weight of 308.39 g/mol, XLogP of 3.12, 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-pyrazin-2-ylprop-2-enamide is sourced from PubChem (CID 75363586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).