formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine

C20H26N2O5S — CID 171678480

IUPACformic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(c3ccncc3)CC2)cc1.O=CO
InChIInChI=1S/C19H24N2O3S.CH2O2/c1-15(2)24-18-3-5-19(6-4-18)25(22,23)21-13-9-17(10-14-21)16-7-11-20-12-8-16;2-1-3/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3;1H,(H,2,3)
InChIKeyYHAUFTMZLGZCMQ-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.14
Rot. Bonds5

About formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine

formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine (PubChem CID 171678480) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine.

Molecular Properties

Compound Nameformic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine
PubChem CID171678480
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Nameformic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(c3ccncc3)CC2)cc1.O=CO
InChIInChI=1S/C19H24N2O3S.CH2O2/c1-15(2)24-18-3-5-19(6-4-18)25(22,23)21-13-9-17(10-14-21)16-7-11-20-12-8-16;2-1-3/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3;1H,(H,2,3)
InChIKeyYHAUFTMZLGZCMQ-UHFFFAOYSA-N
XLogP3.14
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine
CID 171678492
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine
CID 95824755
4-[1-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]piperidin-4-yl]pyridine
CID 18328899
2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636426
7-phenyl-4-(4-propan-2-yloxyphenyl)sulfonyl-1,4-thiazepane 1,1-dioxide
CID 121192197
2-[5-chloro-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethane-1,1-diol
CID 71106472
3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156844
1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 55780518
N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811202
[6-bromo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methanesulfonic acid
CID 58130160
N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952216

Frequently Asked Questions

What is the IUPAC name of formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine?
The IUPAC name of formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine (CID 171678480) is formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine.
What is the SMILES notation for formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine?
The canonical SMILES for formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine is CC(C)Oc1ccc(S(=O)(=O)N2CCC(c3ccncc3)CC2)cc1.O=CO.
What is the InChIKey of formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine?
The InChIKey is YHAUFTMZLGZCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S.CH2O2/c1-15(2)24-18-3-5-19(6-4-18)25(22,23)21-13-9-17(10-14-21)16-7-11-20-12-8-16;2-1-3/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine?
formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine has a molecular weight of 406.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine is sourced from PubChem (CID 171678480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).