4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile

C16H25N5O3S — CID 151523600

IUPAC4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile
SMILESCS(=O)(=O)N1CCC(OCc2cnn(C3CCNCC3)c2C#N)CC1
InChIInChI=1S/C16H25N5O3S/c1-25(22,23)20-8-4-15(5-9-20)24-12-13-11-19-21(16(13)10-17)14-2-6-18-7-3-14/h11,14-15,18H,2-9,12H2,1H3
InChIKeyPUZAWYFYEQGZNW-UHFFFAOYSA-N
MW367.48 g/mol
LogP0.62
Rot. Bonds5

About 4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile

4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile (PubChem CID 151523600) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile
PubChem CID151523600
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile
SMILESCS(=O)(=O)N1CCC(OCc2cnn(C3CCNCC3)c2C#N)CC1
InChIInChI=1S/C16H25N5O3S/c1-25(22,23)20-8-4-15(5-9-20)24-12-13-11-19-21(16(13)10-17)14-2-6-18-7-3-14/h11,14-15,18H,2-9,12H2,1H3
InChIKeyPUZAWYFYEQGZNW-UHFFFAOYSA-N
XLogP0.62
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile?
The IUPAC name of 4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile (CID 151523600) is 4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile.
What is the SMILES notation for 4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile?
The canonical SMILES for 4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile is CS(=O)(=O)N1CCC(OCc2cnn(C3CCNCC3)c2C#N)CC1.
What is the InChIKey of 4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile?
The InChIKey is PUZAWYFYEQGZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-25(22,23)20-8-4-15(5-9-20)24-12-13-11-19-21(16(13)10-17)14-2-6-18-7-3-14/h11,14-15,18H,2-9,12H2,1H3.
What are the key properties of 4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile?
4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile has a molecular weight of 367.48 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylsulfonylpiperidin-4-yl)oxymethyl]-1-piperidin-4-ylpyrazole-5-carbonitrile is sourced from PubChem (CID 151523600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).