2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile

C17H18N4O — CID 28792674

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1cccc(N2CCN(c3ncccc3C#N)CC2)c1
InChIInChI=1S/C17H18N4O/c1-22-16-6-2-5-15(12-16)20-8-10-21(11-9-20)17-14(13-18)4-3-7-19-17/h2-7,12H,8-11H2,1H3
InChIKeyLYBDVFKPRQWNKA-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.29
Rot. Bonds3

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile

2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 28792674) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID28792674
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1cccc(N2CCN(c3ncccc3C#N)CC2)c1
InChIInChI=1S/C17H18N4O/c1-22-16-6-2-5-15(12-16)20-8-10-21(11-9-20)17-14(13-18)4-3-7-19-17/h2-7,12H,8-11H2,1H3
InChIKeyLYBDVFKPRQWNKA-UHFFFAOYSA-N
XLogP2.29
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 163352079
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 122136129
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773
2-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridine-3-carbonitrile
CID 72911571
2-[4-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
CID 171335654
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171335886
1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 154829029
[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 43823491
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78845359
5-chloro-2-[4-(3-methoxyphenyl)piperazin-1-yl]benzonitrile
CID 133282150
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 28792674) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile is COc1cccc(N2CCN(c3ncccc3C#N)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is LYBDVFKPRQWNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-16-6-2-5-15(12-16)20-8-10-21(11-9-20)17-14(13-18)4-3-7-19-17/h2-7,12H,8-11H2,1H3.
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 28792674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).