5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile

C20H24N4 — CID 133435800

IUPAC5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESCCCC1CN(c2ccc(C#N)nc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H24N4/c1-2-6-20-16-24(19-10-9-18(13-21)22-14-19)12-11-23(20)15-17-7-4-3-5-8-17/h3-5,7-10,14,20H,2,6,11-12,15-16H2,1H3
InChIKeyIKVCWJHFPHGWNB-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.44
Rot. Bonds5

About 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile

5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile (PubChem CID 133435800) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile
PubChem CID133435800
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESCCCC1CN(c2ccc(C#N)nc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H24N4/c1-2-6-20-16-24(19-10-9-18(13-21)22-14-19)12-11-23(20)15-17-7-4-3-5-8-17/h3-5,7-10,14,20H,2,6,11-12,15-16H2,1H3
InChIKeyIKVCWJHFPHGWNB-UHFFFAOYSA-N
XLogP3.44
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile
CID 133435807
2-(4-benzyl-3-propylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 133435785
4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine
CID 133435764
5-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 133484859
3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine
CID 133435774
7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133435762
5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133369865
5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile
CID 115680930
5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 104977608
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839099

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile (CID 133435800) is 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile is CCCC1CN(c2ccc(C#N)nc2)CCN1Cc1ccccc1.
What is the InChIKey of 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile?
The InChIKey is IKVCWJHFPHGWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-2-6-20-16-24(19-10-9-18(13-21)22-14-19)12-11-23(20)15-17-7-4-3-5-8-17/h3-5,7-10,14,20H,2,6,11-12,15-16H2,1H3.
What are the key properties of 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile?
5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile has a molecular weight of 320.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzyl-3-propylpiperazin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 133435800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).