4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

C20H21FN4O2 — CID 133396783

IUPAC4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C#N)c(C)n1
InChIInChI=1S/C20H21FN4O2/c1-14-11-19(18(12-22)15(2)23-14)24-7-9-25(10-8-24)20(26)13-27-17-5-3-16(21)4-6-17/h3-6,11H,7-10,13H2,1-2H3
InChIKeyUQSNDGJOINMPSI-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.44
Rot. Bonds4

About 4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133396783) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133396783
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C#N)c(C)n1
InChIInChI=1S/C20H21FN4O2/c1-14-11-19(18(12-22)15(2)23-14)24-7-9-25(10-8-24)20(26)13-27-17-5-3-16(21)4-6-17/h3-6,11H,7-10,13H2,1-2H3
InChIKeyUQSNDGJOINMPSI-UHFFFAOYSA-N
XLogP2.44
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (CID 133396783) is 4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C#N)c(C)n1.
What is the InChIKey of 4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is UQSNDGJOINMPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-14-11-19(18(12-22)15(2)23-14)24-7-9-25(10-8-24)20(26)13-27-17-5-3-16(21)4-6-17/h3-6,11H,7-10,13H2,1-2H3.
What are the key properties of 4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 368.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133396783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).