2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide

C17H25N5O2 — CID 118782684

IUPAC2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)NC1CCCN(c2cnccn2)C1
InChIInChI=1S/C17H25N5O2/c23-16(13-22-9-3-1-2-6-17(22)24)20-14-5-4-10-21(12-14)15-11-18-7-8-19-15/h7-8,11,14H,1-6,9-10,12-13H2,(H,20,23)
InChIKeyFATNWSFEIWGOIY-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.96
Rot. Bonds4

About 2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide

2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide (PubChem CID 118782684) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
PubChem CID118782684
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)NC1CCCN(c2cnccn2)C1
InChIInChI=1S/C17H25N5O2/c23-16(13-22-9-3-1-2-6-17(22)24)20-14-5-4-10-21(12-14)15-11-18-7-8-19-15/h7-8,11,14H,1-6,9-10,12-13H2,(H,20,23)
InChIKeyFATNWSFEIWGOIY-UHFFFAOYSA-N
XLogP0.96
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 77096885
2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide
CID 72901641
N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 99971826
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 90653061
3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 131928797
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
2-(2-methylbenzimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 119072189
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
3-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030936
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 99981987
3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
CID 77087086
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide (CID 118782684) is 2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide is O=C(CN1CCCCCC1=O)NC1CCCN(c2cnccn2)C1.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide?
The InChIKey is FATNWSFEIWGOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-16(13-22-9-3-1-2-6-17(22)24)20-14-5-4-10-21(12-14)15-11-18-7-8-19-15/h7-8,11,14H,1-6,9-10,12-13H2,(H,20,23).
What are the key properties of 2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide?
2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide is sourced from PubChem (CID 118782684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).