N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide

C17H20N4O — CID 23607872

IUPACN-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C17H20N4O/c22-17(20-11-14-5-2-1-3-6-14)15-7-4-10-21(13-15)16-12-18-8-9-19-16/h1-3,5-6,8-9,12,15H,4,7,10-11,13H2,(H,20,22)
InChIKeyHKNVXYDHMZZSGS-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.01
Rot. Bonds4

About N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide

N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 23607872) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID23607872
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C17H20N4O/c22-17(20-11-14-5-2-1-3-6-14)15-7-4-10-21(13-15)16-12-18-8-9-19-16/h1-3,5-6,8-9,12,15H,4,7,10-11,13H2,(H,20,22)
InChIKeyHKNVXYDHMZZSGS-UHFFFAOYSA-N
XLogP2.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 23607872) is N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NCc1ccccc1)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is HKNVXYDHMZZSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(20-11-14-5-2-1-3-6-14)15-7-4-10-21(13-15)16-12-18-8-9-19-16/h1-3,5-6,8-9,12,15H,4,7,10-11,13H2,(H,20,22).
What are the key properties of N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 23607872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).