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

C22H21FN4O2 — CID 78877289

IUPAC2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)cn2ccccc12
InChIInChI=1S/C22H21FN4O2/c23-18-4-6-19(7-5-18)29-16-22(28)26-11-9-25(10-12-26)14-17-15-27-8-2-1-3-21(27)20(17)13-24/h1-8,15H,9-12,14,16H2
InChIKeyQUBKLCOHYVKYBW-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.67
Rot. Bonds5

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

2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile (PubChem CID 78877289) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
PubChem CID78877289
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)cn2ccccc12
InChIInChI=1S/C22H21FN4O2/c23-18-4-6-19(7-5-18)29-16-22(28)26-11-9-25(10-12-26)14-17-15-27-8-2-1-3-21(27)20(17)13-24/h1-8,15H,9-12,14,16H2
InChIKeyQUBKLCOHYVKYBW-UHFFFAOYSA-N
XLogP2.67
TPSA60.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 24674723
1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78877266
2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 95610800
2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 17489935
2-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 17472695
2-[(4-formylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 62653943
(1-cyanoindolizin-2-yl)methyl 2-(4-bromophenoxy)acetate
CID 16619726
2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 17399192
(1-cyanoindolizin-2-yl)methyl 2-(4-benzoylphenoxy)acetate
CID 16582227
1-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 46998642
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
(1-cyanoindolizin-2-yl)methyl 3,5-difluorobenzoate
CID 16617072

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile (CID 78877289) is 2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile is N#Cc1c(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)cn2ccccc12.
What is the InChIKey of 2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The InChIKey is QUBKLCOHYVKYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-18-4-6-19(7-5-18)29-16-22(28)26-11-9-25(10-12-26)14-17-15-27-8-2-1-3-21(27)20(17)13-24/h1-8,15H,9-12,14,16H2.
What are the key properties of 2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile?
2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile has a molecular weight of 392.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 78877289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).