N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C18H22N4O — CID 23607667

IUPACN-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)C2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C18H22N4O/c1-2-14-5-3-7-16(11-14)21-18(23)15-6-4-10-22(13-15)17-12-19-8-9-20-17/h3,5,7-9,11-12,15H,2,4,6,10,13H2,1H3,(H,21,23)
InChIKeyZZMGAPJJSLUDBS-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.89
Rot. Bonds4

About N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 23607667) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID23607667
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)C2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C18H22N4O/c1-2-14-5-3-7-16(11-14)21-18(23)15-6-4-10-22(13-15)17-12-19-8-9-20-17/h3,5,7-9,11-12,15H,2,4,6,10,13H2,1H3,(H,21,23)
InChIKeyZZMGAPJJSLUDBS-UHFFFAOYSA-N
XLogP2.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 23607667) is N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is CCc1cccc(NC(=O)C2CCCN(c3cnccn3)C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is ZZMGAPJJSLUDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-14-5-3-7-16(11-14)21-18(23)15-6-4-10-22(13-15)17-12-19-8-9-20-17/h3,5,7-9,11-12,15H,2,4,6,10,13H2,1H3,(H,21,23).
What are the key properties of N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 23607667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).