4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide

C19H21BrN4O2 — CID 8900732

IUPAC4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN4O2/c20-16-6-4-15(5-7-16)19(26)22-10-8-18(25)24-13-11-23(12-14-24)17-3-1-2-9-21-17/h1-7,9H,8,10-14H2,(H,22,26)
InChIKeyDAACZGOJOQUQKA-UHFFFAOYSA-N
MW417.31 g/mol
LogP2.31
Rot. Bonds5

About 4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide

4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide (PubChem CID 8900732) has the molecular formula C19H21BrN4O2 and a molecular weight of 417.31 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
PubChem CID8900732
Molecular FormulaC19H21BrN4O2
Molecular Weight417.31 g/mol
Exact Mass416.08
IUPAC Name4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN4O2/c20-16-6-4-15(5-7-16)19(26)22-10-8-18(25)24-13-11-23(12-14-24)17-3-1-2-9-21-17/h1-7,9H,8,10-14H2,(H,22,26)
InChIKeyDAACZGOJOQUQKA-UHFFFAOYSA-N
XLogP2.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide (CID 8900732) is 4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide is O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
The InChIKey is DAACZGOJOQUQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O2/c20-16-6-4-15(5-7-16)19(26)22-10-8-18(25)24-13-11-23(12-14-24)17-3-1-2-9-21-17/h1-7,9H,8,10-14H2,(H,22,26).
What are the key properties of 4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide?
4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide has a molecular weight of 417.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 8900732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).