2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile

C16H23N5O2S — CID 35324791

IUPAC2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile
SMILESC[C@H]1CCCN(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1
InChIInChI=1S/C16H23N5O2S/c1-14-3-2-6-21(13-14)24(22,23)20-9-7-19(8-10-20)16-11-15(12-17)4-5-18-16/h4-5,11,14H,2-3,6-10,13H2,1H3/t14-/m0/s1
InChIKeyKZPOZTKFQPTUSA-AWEZNQCLSA-N
MW349.46 g/mol
LogP1.05
Rot. Bonds3

About 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile

2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 35324791) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile
PubChem CID35324791
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile
SMILESC[C@H]1CCCN(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1
InChIInChI=1S/C16H23N5O2S/c1-14-3-2-6-21(13-14)24(22,23)20-9-7-19(8-10-20)16-11-15(12-17)4-5-18-16/h4-5,11,14H,2-3,6-10,13H2,1H3/t14-/m0/s1
InChIKeyKZPOZTKFQPTUSA-AWEZNQCLSA-N
XLogP1.05
TPSA80.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile with MolForge

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Related Compounds

1-(4-cyano-2-pyridinyl)-4-methylpiperidine-2-carboxylic acid
CID 114422351
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile
CID 43620425
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
3-methyl-6-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 97253244
(3S)-3-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35323796
1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 46981276
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 54986436
2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36637072
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 61242795
2-(3-pyrrolidin-3-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 128843965
2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 54989758
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 79170700

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile (CID 35324791) is 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile is C[C@H]1CCCN(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1.
What is the InChIKey of 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is KZPOZTKFQPTUSA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-14-3-2-6-21(13-14)24(22,23)20-9-7-19(8-10-20)16-11-15(12-17)4-5-18-16/h4-5,11,14H,2-3,6-10,13H2,1H3/t14-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 349.46 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 35324791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).