1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone

C18H28N4O2 — CID 171704153

IUPAC1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone
SMILESCc1cncc(OC2CCN(CC(=O)N3CCCCCC3)CC2)n1
InChIInChI=1S/C18H28N4O2/c1-15-12-19-13-17(20-15)24-16-6-10-21(11-7-16)14-18(23)22-8-4-2-3-5-9-22/h12-13,16H,2-11,14H2,1H3
InChIKeyCHNJTRLZVNCDRM-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.03
Rot. Bonds4

About 1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone

1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone (PubChem CID 171704153) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone
PubChem CID171704153
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone
SMILESCc1cncc(OC2CCN(CC(=O)N3CCCCCC3)CC2)n1
InChIInChI=1S/C18H28N4O2/c1-15-12-19-13-17(20-15)24-16-6-10-21(11-7-16)14-18(23)22-8-4-2-3-5-9-22/h12-13,16H,2-11,14H2,1H3
InChIKeyCHNJTRLZVNCDRM-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]oxy-6-methylpyrazine
CID 171702340
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 110102514
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700905
cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 46980907
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
2-cyclohexyl-1-[(3S)-3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 100613496
2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 127246548
2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole
CID 171701845
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
1-(azepan-1-yl)-2-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 146079543
1-(azepan-1-yl)-2-[3-[(4-methylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone
CID 171993085

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone (CID 171704153) is 1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone is Cc1cncc(OC2CCN(CC(=O)N3CCCCCC3)CC2)n1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is CHNJTRLZVNCDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15-12-19-13-17(20-15)24-16-6-10-21(11-7-16)14-18(23)22-8-4-2-3-5-9-22/h12-13,16H,2-11,14H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 332.45 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 171704153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).