6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile

C18H16Cl2N4O2 — CID 110420694

IUPAC6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)nc1
InChIInChI=1S/C18H16Cl2N4O2/c19-14-2-3-16(15(20)9-14)26-12-18(25)24-7-5-23(6-8-24)17-4-1-13(10-21)11-22-17/h1-4,9,11H,5-8,12H2
InChIKeySWOFECIFTCUPKC-UHFFFAOYSA-N
MW391.26 g/mol
LogP2.99
Rot. Bonds4

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

6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 110420694) has the molecular formula C18H16Cl2N4O2 and a molecular weight of 391.26 g/mol. Its IUPAC name is 6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID110420694
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.26 g/mol
Exact Mass390.07
IUPAC Name6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)nc1
InChIInChI=1S/C18H16Cl2N4O2/c19-14-2-3-16(15(20)9-14)26-12-18(25)24-7-5-23(6-8-24)17-4-1-13(10-21)11-22-17/h1-4,9,11H,5-8,12H2
InChIKeySWOFECIFTCUPKC-UHFFFAOYSA-N
XLogP2.99
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645070
6-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 94985371
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 122279289
2-(2,4-dichlorophenoxy)-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 60603145
2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
CID 16883357
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60551458
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
6-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 56817691
2-(2,4-dichlorophenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9228398
2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 110420694) is 6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)nc1.
What is the InChIKey of 6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is SWOFECIFTCUPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2/c19-14-2-3-16(15(20)9-14)26-12-18(25)24-7-5-23(6-8-24)17-4-1-13(10-21)11-22-17/h1-4,9,11H,5-8,12H2.
What are the key properties of 6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 391.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 110420694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).