1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone

C20H36N4O2 — CID 8006898

IUPAC1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)N1CCCCCC1
InChIInChI=1S/C20H36N4O2/c25-19(23-9-5-1-2-6-10-23)17-21-13-15-22(16-14-21)18-20(26)24-11-7-3-4-8-12-24/h1-18H2
InChIKeyBRSIXXGOJYKADH-UHFFFAOYSA-N
MW364.53 g/mol
LogP1.41
Rot. Bonds4

About 1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone

1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone (PubChem CID 8006898) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
PubChem CID8006898
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)N1CCCCCC1
InChIInChI=1S/C20H36N4O2/c25-19(23-9-5-1-2-6-10-23)17-21-13-15-22(16-14-21)18-20(26)24-11-7-3-4-8-12-24/h1-18H2
InChIKeyBRSIXXGOJYKADH-UHFFFAOYSA-N
XLogP1.41
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone (CID 8006898) is 1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone is O=C(CN1CCN(CC(=O)N2CCCCCC2)CC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone?
The InChIKey is BRSIXXGOJYKADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c25-19(23-9-5-1-2-6-10-23)17-21-13-15-22(16-14-21)18-20(26)24-11-7-3-4-8-12-24/h1-18H2.
What are the key properties of 1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone has a molecular weight of 364.53 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 8006898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).