1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

C17H26N4O — CID 95824988

IUPAC1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cncc(N3CCCCCC3)n2)CC1
InChIInChI=1S/C17H26N4O/c1-14(22)20-10-6-15(7-11-20)16-12-18-13-17(19-16)21-8-4-2-3-5-9-21/h12-13,15H,2-11H2,1H3
InChIKeyFSXRUKKIHJLNKT-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.58
Rot. Bonds2

About 1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95824988) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95824988
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cncc(N3CCCCCC3)n2)CC1
InChIInChI=1S/C17H26N4O/c1-14(22)20-10-6-15(7-11-20)16-12-18-13-17(19-16)21-8-4-2-3-5-9-21/h12-13,15H,2-11H2,1H3
InChIKeyFSXRUKKIHJLNKT-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-ethylpiperidin-4-yl)-N,N-dimethylpyrazin-2-amine
CID 73439105
US10030012, Example 49
CID 78318148
US10030012, Example 50
CID 78318149
N,N-dimethyl-6-(1-methylpiperidin-4-yl)pyrazin-2-amine
CID 95730773
6-[1-(2-methoxyethyl)piperidin-4-yl]-N,N-dimethylpyrazin-2-amine
CID 95816955
1-[4-[3-(Pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821990
1-[4-[[5-(Pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 95823803
2-[4-[6-(Dimethylamino)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 95823972
1-[4-[(5-Imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95825000
1-[4-(6-Morpholin-4-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 95825045
1-[4-(6-Piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 95825239
N-[1-(5-piperidin-4-ylpyrazin-2-yl)piperidin-4-yl]acetamide
CID 95825566

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95824988) is 1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cncc(N3CCCCCC3)n2)CC1.
What is the InChIKey of 1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is FSXRUKKIHJLNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-14(22)20-10-6-15(7-11-20)16-12-18-13-17(19-16)21-8-4-2-3-5-9-21/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(azepan-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95824988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).