1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one

C26H26N2O — CID 141460489

IUPAC1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one
SMILESO=C(CCC1=C=C=CC=C1)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H26N2O/c29-26(16-11-22-7-3-1-4-8-22)24-12-14-25(15-13-24)28-19-17-27(18-20-28)21-23-9-5-2-6-10-23/h1-3,5-7,9-10,12-15H,11,16-21H2
InChIKeyYTIAAFJZQOCTBQ-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.78
Rot. Bonds7

About 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one

1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one (PubChem CID 141460489) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one
PubChem CID141460489
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one
SMILESO=C(CCC1=C=C=CC=C1)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H26N2O/c29-26(16-11-22-7-3-1-4-8-22)24-12-14-25(15-13-24)28-19-17-27(18-20-28)21-23-9-5-2-6-10-23/h1-3,5-7,9-10,12-15H,11,16-21H2
InChIKeyYTIAAFJZQOCTBQ-UHFFFAOYSA-N
XLogP4.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one with MolForge

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Related Compounds

1-[4-(4-benzylpiperazin-1-yl)phenyl]-2-bromoethanone
CID 58566079
2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 10406365
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 42315767
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
1-benzyl-4-[4-(bromomethyl)phenyl]piperazine
CID 107079129
(2S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 35893855
3-[[4-[4-[3-(1-benzylpiperidin-4-yl)propanoyl]phenyl]piperazin-1-yl]methyl]-1H-indole-5-carbonitrile
CID 166632616
3-(4-benzylpiperazin-1-yl)-4-chlorobenzoic acid
CID 110452600
1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one
CID 177471870
2-[4-(4-benzylpiperazin-1-yl)phenyl]isoindole-1,3-dione
CID 168519018

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one?
The IUPAC name of 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one (CID 141460489) is 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one is O=C(CCC1=C=C=CC=C1)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one?
The InChIKey is YTIAAFJZQOCTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c29-26(16-11-22-7-3-1-4-8-22)24-12-14-25(15-13-24)28-19-17-27(18-20-28)21-23-9-5-2-6-10-23/h1-3,5-7,9-10,12-15H,11,16-21H2.
What are the key properties of 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one?
1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one has a molecular weight of 382.51 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-cyclohexa-1,2,3,5-tetraen-1-ylpropan-1-one is sourced from PubChem (CID 141460489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).