1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide

C25H31N3O5S — CID 26705393

IUPAC1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OCCC
InChIInChI=1S/C25H31N3O5S/c1-3-15-32-23-10-7-21(17-24(23)33-16-4-2)27-25(29)20-11-13-28(14-12-20)34(30,31)22-8-5-19(18-26)6-9-22/h5-10,17,20H,3-4,11-16H2,1-2H3,(H,27,29)
InChIKeyXBCVSSRLBCETSF-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.18
Rot. Bonds10

About 1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide

1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide (PubChem CID 26705393) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is 1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
PubChem CID26705393
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OCCC
InChIInChI=1S/C25H31N3O5S/c1-3-15-32-23-10-7-21(17-24(23)33-16-4-2)27-25(29)20-11-13-28(14-12-20)34(30,31)22-8-5-19(18-26)6-9-22/h5-10,17,20H,3-4,11-16H2,1-2H3,(H,27,29)
InChIKeyXBCVSSRLBCETSF-UHFFFAOYSA-N
XLogP4.18
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26920976
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 16551227
1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide
CID 71904171
1-(4-tert-butylphenyl)sulfonyl-N-(4-cyanophenyl)piperidine-4-carboxamide
CID 26289870
N-(4-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26687484
1-(4-cyanophenyl)sulfonyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 24503873
(4-propoxyphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate
CID 26704386
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732
1-(4-cyanophenyl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 33456378
N-(3,4-dipropoxyphenyl)oxane-4-carboxamide
CID 78800774
1-(4-cyanophenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 26692920
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 26273466

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide (CID 26705393) is 1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide is CCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1OCCC.
What is the InChIKey of 1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide?
The InChIKey is XBCVSSRLBCETSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-3-15-32-23-10-7-21(17-24(23)33-16-4-2)27-25(29)20-11-13-28(14-12-20)34(30,31)22-8-5-19(18-26)6-9-22/h5-10,17,20H,3-4,11-16H2,1-2H3,(H,27,29).
What are the key properties of 1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide?
1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26705393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).