formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine

C20H32N2O5S — CID 171678492

IUPACformic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1.O=CO
InChIInChI=1S/C19H30N2O3S.CH2O2/c1-16(2)24-18-6-8-19(9-7-18)25(22,23)21-14-10-17(11-15-21)20-12-4-3-5-13-20;2-1-3/h6-9,16-17H,3-5,10-15H2,1-2H3;1H,(H,2,3)
InChIKeyZPCGIJQLRUFUFM-UHFFFAOYSA-N
MW412.55 g/mol
LogP2.81
Rot. Bonds5

About formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine

formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine (PubChem CID 171678492) has the molecular formula C20H32N2O5S and a molecular weight of 412.55 g/mol. Its IUPAC name is formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Nameformic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine
PubChem CID171678492
Molecular FormulaC20H32N2O5S
Molecular Weight412.55 g/mol
Exact Mass412.20
IUPAC Nameformic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1.O=CO
InChIInChI=1S/C19H30N2O3S.CH2O2/c1-16(2)24-18-6-8-19(9-7-18)25(22,23)21-14-10-17(11-15-21)20-12-4-3-5-13-20;2-1-3/h6-9,16-17H,3-5,10-15H2,1-2H3;1H,(H,2,3)
InChIKeyZPCGIJQLRUFUFM-UHFFFAOYSA-N
XLogP2.81
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 52.81
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-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyridine
CID 171678480
1-(4-ethoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 87024749
3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156844
N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811202
1-cyclohexyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 3540501
2-[6-fluoro-1-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]indol-3-yl]acetaldehyde
CID 88578513
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
CID 71890474
1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308435
7-phenyl-4-(4-propan-2-yloxyphenyl)sulfonyl-1,4-thiazepane 1,1-dioxide
CID 121192197
1-[4-(4-propan-2-yloxyphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796548
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
2-[7-chloro-3-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetaldehyde
CID 88933218

Frequently Asked Questions

What is the IUPAC name of formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine?
The IUPAC name of formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine (CID 171678492) is formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine.
What is the SMILES notation for formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine?
The canonical SMILES for formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine is CC(C)Oc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1.O=CO.
What is the InChIKey of formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine?
The InChIKey is ZPCGIJQLRUFUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S.CH2O2/c1-16(2)24-18-6-8-19(9-7-18)25(22,23)21-14-10-17(11-15-21)20-12-4-3-5-13-20;2-1-3/h6-9,16-17H,3-5,10-15H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine?
formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine has a molecular weight of 412.55 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-piperidin-1-yl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 171678492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).