[3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate

C26H27NO5S — CID 123309908

IUPAC[3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
SMILESC=C(OC)c1cccc(COC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C26H27NO5S/c1-19(31-2)23-9-5-6-20(16-23)18-32-26(28)22-12-14-27(15-13-22)33(29,30)25-11-10-21-7-3-4-8-24(21)17-25/h3-11,16-17,22H,1,12-15,18H2,2H3
InChIKeyNJNZPAKRMHWNQS-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.60
Rot. Bonds7

About [3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate

[3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate (PubChem CID 123309908) has the molecular formula C26H27NO5S and a molecular weight of 465.57 g/mol. Its IUPAC name is [3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
PubChem CID123309908
Molecular FormulaC26H27NO5S
Molecular Weight465.57 g/mol
Exact Mass465.16
IUPAC Name[3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
SMILESC=C(OC)c1cccc(COC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C26H27NO5S/c1-19(31-2)23-9-5-6-20(16-23)18-32-26(28)22-12-14-27(15-13-22)33(29,30)25-11-10-21-7-3-4-8-24(21)17-25/h3-11,16-17,22H,1,12-15,18H2,2H3
InChIKeyNJNZPAKRMHWNQS-UHFFFAOYSA-N
XLogP4.60
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(3-methoxycarbonylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 42981610
(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 27543624
(3-carbamoylphenyl)methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 55641866
[2-(3-nitrophenyl)-2-oxoethyl] 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 1347495
[2-(4-fluorophenyl)-2-oxoethyl] 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 1158068
(3-fluorophenyl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 16541300
(3-methoxyphenyl)methyl 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 42983013
(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate
CID 8020326
N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26795871
[3-(dimethylsulfamoyl)phenyl]methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 55320815
(4-methoxycarbonylphenyl)methyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 42988284
pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 42578108

Frequently Asked Questions

What is the IUPAC name of [3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate?
The IUPAC name of [3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate (CID 123309908) is [3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for [3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate is C=C(OC)c1cccc(COC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1.
What is the InChIKey of [3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate?
The InChIKey is NJNZPAKRMHWNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5S/c1-19(31-2)23-9-5-6-20(16-23)18-32-26(28)22-12-14-27(15-13-22)33(29,30)25-11-10-21-7-3-4-8-24(21)17-25/h3-11,16-17,22H,1,12-15,18H2,2H3.
What are the key properties of [3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate?
[3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate has a molecular weight of 465.57 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methoxyethenyl)phenyl]methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 123309908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).