N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide

C12H18N4O — CID 71786542

IUPACN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C12H18N4O/c1-10(17)15-8-11-2-6-16(7-3-11)12-9-13-4-5-14-12/h4-5,9,11H,2-3,6-8H2,1H3,(H,15,17)
InChIKeyGDTQIYACHHCQMG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.83
Rot. Bonds3

About N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide

N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 71786542) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide
PubChem CID71786542
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C12H18N4O/c1-10(17)15-8-11-2-6-16(7-3-11)12-9-13-4-5-14-12/h4-5,9,11H,2-3,6-8H2,1H3,(H,15,17)
InChIKeyGDTQIYACHHCQMG-UHFFFAOYSA-N
XLogP0.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide (CID 71786542) is N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide is CC(=O)NCC1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is GDTQIYACHHCQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10(17)15-8-11-2-6-16(7-3-11)12-9-13-4-5-14-12/h4-5,9,11H,2-3,6-8H2,1H3,(H,15,17).
What are the key properties of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide?
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 71786542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).