1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one

C14H19BrN4O2 — CID 133320791

IUPAC1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCNc2cncc(Br)c2)CC1
InChIInChI=1S/C14H19BrN4O2/c1-11(20)18-4-6-19(7-5-18)14(21)2-3-17-13-8-12(15)9-16-10-13/h8-10,17H,2-7H2,1H3
InChIKeyFVFBUOPCBSFKDA-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.34
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one

1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one (PubChem CID 133320791) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one
PubChem CID133320791
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCNc2cncc(Br)c2)CC1
InChIInChI=1S/C14H19BrN4O2/c1-11(20)18-4-6-19(7-5-18)14(21)2-3-17-13-8-12(15)9-16-10-13/h8-10,17H,2-7H2,1H3
InChIKeyFVFBUOPCBSFKDA-UHFFFAOYSA-N
XLogP1.34
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-acetylpiperazin-1-yl)-3-(4-bromoanilino)propan-1-one
CID 109018200
1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethylanilino)propan-1-one
CID 109018174
3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 71996706
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112699008
5-bromo-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
CID 115578537
2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride
CID 131877177
3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104923813
3-[(5-bromopyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115619264
tert-butyl (2R)-2-[2-[(5-bromo-3-pyridinyl)amino]ethyl]azetidine-1-carboxylate
CID 70231955
1-(4-acetylpiperazin-1-yl)-3-[(8-bromoquinolin-2-yl)amino]propan-1-one
CID 133370407
1-(4-acetylpiperazin-1-yl)-3-(tert-butylamino)propan-1-one
CID 60894223

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one (CID 133320791) is 1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one is CC(=O)N1CCN(C(=O)CCNc2cncc(Br)c2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one?
The InChIKey is FVFBUOPCBSFKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c1-11(20)18-4-6-19(7-5-18)14(21)2-3-17-13-8-12(15)9-16-10-13/h8-10,17H,2-7H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one?
1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one has a molecular weight of 355.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one is sourced from PubChem (CID 133320791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).