2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile

C22H22N4O — CID 17489935

IUPAC2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
SMILESCC(=O)c1ccc(N2CCN(Cc3cn4ccccc4c3C#N)CC2)cc1
InChIInChI=1S/C22H22N4O/c1-17(27)18-5-7-20(8-6-18)25-12-10-24(11-13-25)15-19-16-26-9-3-2-4-22(26)21(19)14-23/h2-9,16H,10-13,15H2,1H3
InChIKeyGPUVOJNZQAHVGM-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.34
Rot. Bonds4

About 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile

2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile (PubChem CID 17489935) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
PubChem CID17489935
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
SMILESCC(=O)c1ccc(N2CCN(Cc3cn4ccccc4c3C#N)CC2)cc1
InChIInChI=1S/C22H22N4O/c1-17(27)18-5-7-20(8-6-18)25-12-10-24(11-13-25)15-19-16-26-9-3-2-4-22(26)21(19)14-23/h2-9,16H,10-13,15H2,1H3
InChIKeyGPUVOJNZQAHVGM-UHFFFAOYSA-N
XLogP3.34
TPSA51.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 18133538
2-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 24674723
2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 95610800
2-[(4-formylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 62653943
ethyl 1-[(1-cyanoindolizin-2-yl)methyl]piperidine-4-carboxylate
CID 51322364
2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 134045205
2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 16582156
2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 78877289
2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 17399192
2-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 17472695
2-[[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]indolizine-1-carbonitrile
CID 95613093
2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 24680083

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile (CID 17489935) is 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile is CC(=O)c1ccc(N2CCN(Cc3cn4ccccc4c3C#N)CC2)cc1.
What is the InChIKey of 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The InChIKey is GPUVOJNZQAHVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-17(27)18-5-7-20(8-6-18)25-12-10-24(11-13-25)15-19-16-26-9-3-2-4-22(26)21(19)14-23/h2-9,16H,10-13,15H2,1H3.
What are the key properties of 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile?
2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile has a molecular weight of 358.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 17489935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).