(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one

C19H21BrN4O — CID 45140259

IUPAC(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one
SMILESCC(=O)/C(=N/Nc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21BrN4O/c1-15(25)19(22-21-17-9-7-16(20)8-10-17)24-13-11-23(12-14-24)18-5-3-2-4-6-18/h2-10,21H,11-14H2,1H3/b22-19-
InChIKeyLLRJHUYOHPBPGG-QOCHGBHMSA-N
MW401.31 g/mol
LogP3.59
Rot. Bonds4

About (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one

(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one (PubChem CID 45140259) has the molecular formula C19H21BrN4O and a molecular weight of 401.31 g/mol. Its IUPAC name is (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one
PubChem CID45140259
Molecular FormulaC19H21BrN4O
Molecular Weight401.31 g/mol
Exact Mass400.09
IUPAC Name(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one
SMILESCC(=O)/C(=N/Nc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21BrN4O/c1-15(25)19(22-21-17-9-7-16(20)8-10-17)24-13-11-23(12-14-24)18-5-3-2-4-6-18/h2-10,21H,11-14H2,1H3/b22-19-
InChIKeyLLRJHUYOHPBPGG-QOCHGBHMSA-N
XLogP3.59
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one
CID 830626
1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-2-ylhydrazinylidene)propan-2-one
CID 172879323
N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide
CID 113106592
(E)-3-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 6014172
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 18292295
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
1-[4-[4-[(3-bromophenyl)methylamino]phenyl]piperazin-1-yl]ethanone
CID 4736689
N-[4-[4-(4-bromophenyl)piperazin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
CID 69293076

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one?
The IUPAC name of (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one (CID 45140259) is (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one?
The canonical SMILES for (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one is CC(=O)/C(=N/Nc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one?
The InChIKey is LLRJHUYOHPBPGG-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H21BrN4O/c1-15(25)19(22-21-17-9-7-16(20)8-10-17)24-13-11-23(12-14-24)18-5-3-2-4-6-18/h2-10,21H,11-14H2,1H3/b22-19-.
What are the key properties of (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one?
(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one has a molecular weight of 401.31 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-(4-phenylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 45140259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).