5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile

C22H28N4OS — CID 154883654

IUPAC5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile
SMILESCOc1ccccc1N1CCN(C2CCN(Cc3ccc(C#N)s3)CC2)CC1
InChIInChI=1S/C22H28N4OS/c1-27-22-5-3-2-4-21(22)26-14-12-25(13-15-26)18-8-10-24(11-9-18)17-20-7-6-19(16-23)28-20/h2-7,18H,8-15,17H2,1H3
InChIKeyVRRYQAHIACBWPF-UHFFFAOYSA-N
MW396.56 g/mol
LogP3.41
Rot. Bonds5

About 5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile

5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile (PubChem CID 154883654) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is 5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile
PubChem CID154883654
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC Name5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile
SMILESCOc1ccccc1N1CCN(C2CCN(Cc3ccc(C#N)s3)CC2)CC1
InChIInChI=1S/C22H28N4OS/c1-27-22-5-3-2-4-21(22)26-14-12-25(13-15-26)18-8-10-24(11-9-18)17-20-7-6-19(16-23)28-20/h2-7,18H,8-15,17H2,1H3
InChIKeyVRRYQAHIACBWPF-UHFFFAOYSA-N
XLogP3.41
TPSA42.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 1332232
1-[1-(2-methoxyethyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 91811532
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
CID 103983150
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
1-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 7111600
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid
CID 17369301
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
CID 28786689

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile (CID 154883654) is 5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile is COc1ccccc1N1CCN(C2CCN(Cc3ccc(C#N)s3)CC2)CC1.
What is the InChIKey of 5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile?
The InChIKey is VRRYQAHIACBWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-27-22-5-3-2-4-21(22)26-14-12-25(13-15-26)18-8-10-24(11-9-18)17-20-7-6-19(16-23)28-20/h2-7,18H,8-15,17H2,1H3.
What are the key properties of 5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile?
5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile has a molecular weight of 396.56 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 154883654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).