4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide

C21H24BrN3O2 — CID 24980793

IUPAC4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C21H24BrN3O2/c22-17-10-8-16(9-11-17)21(27)23-13-12-20(26)24-18-6-2-3-7-19(18)25-14-4-1-5-15-25/h2-3,6-11H,1,4-5,12-15H2,(H,23,27)(H,24,26)
InChIKeyUJWSGYIXKASEQW-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.20
Rot. Bonds6

About 4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide

4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide (PubChem CID 24980793) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide
PubChem CID24980793
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC Name4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C21H24BrN3O2/c22-17-10-8-16(9-11-17)21(27)23-13-12-20(26)24-18-6-2-3-7-19(18)25-14-4-1-5-15-25/h2-3,6-11H,1,4-5,12-15H2,(H,23,27)(H,24,26)
InChIKeyUJWSGYIXKASEQW-UHFFFAOYSA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide (CID 24980793) is 4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide?
The InChIKey is UJWSGYIXKASEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c22-17-10-8-16(9-11-17)21(27)23-13-12-20(26)24-18-6-2-3-7-19(18)25-14-4-1-5-15-25/h2-3,6-11H,1,4-5,12-15H2,(H,23,27)(H,24,26).
What are the key properties of 4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide?
4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide has a molecular weight of 430.35 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide is sourced from PubChem (CID 24980793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).