1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone

C20H37FN4O2 — CID 44521777

IUPAC1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCC(C)(F)CCCN2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C20H37FN4O2/c1-18(26)24-14-10-22(11-15-24)8-4-6-20(3,21)7-5-9-23-12-16-25(17-13-23)19(2)27/h4-17H2,1-3H3
InChIKeyNXPGXPGQDVZRNP-UHFFFAOYSA-N
MW384.54 g/mol
LogP1.60
Rot. Bonds8

About 1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone

1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone (PubChem CID 44521777) has the molecular formula C20H37FN4O2 and a molecular weight of 384.54 g/mol. Its IUPAC name is 1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone
PubChem CID44521777
Molecular FormulaC20H37FN4O2
Molecular Weight384.54 g/mol
Exact Mass384.29
IUPAC Name1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCC(C)(F)CCCN2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C20H37FN4O2/c1-18(26)24-14-10-22(11-15-24)8-4-6-20(3,21)7-5-9-23-12-16-25(17-13-23)19(2)27/h4-17H2,1-3H3
InChIKeyNXPGXPGQDVZRNP-UHFFFAOYSA-N
XLogP1.60
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone (CID 44521777) is 1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCCC(C)(F)CCCN2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone?
The InChIKey is NXPGXPGQDVZRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37FN4O2/c1-18(26)24-14-10-22(11-15-24)8-4-6-20(3,21)7-5-9-23-12-16-25(17-13-23)19(2)27/h4-17H2,1-3H3.
What are the key properties of 1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone?
1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone has a molecular weight of 384.54 g/mol, XLogP of 1.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(4-acetylpiperazin-1-yl)-4-fluoro-4-methylheptyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 44521777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).