1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide

C25H31N3O5S — CID 26920976

IUPAC1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OCCC
InChIInChI=1S/C25H31N3O5S/c1-3-15-32-22-10-9-21(17-23(22)33-16-4-2)27-25(29)19-11-13-28(14-12-19)34(30,31)24-8-6-5-7-20(24)18-26/h5-10,17,19H,3-4,11-16H2,1-2H3,(H,27,29)
InChIKeyLIICQUOFGVRHQT-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.18
Rot. Bonds10

About 1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide

1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide (PubChem CID 26920976) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
PubChem CID26920976
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OCCC
InChIInChI=1S/C25H31N3O5S/c1-3-15-32-22-10-9-21(17-23(22)33-16-4-2)27-25(29)19-11-13-28(14-12-19)34(30,31)24-8-6-5-7-20(24)18-26/h5-10,17,19H,3-4,11-16H2,1-2H3,(H,27,29)
InChIKeyLIICQUOFGVRHQT-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-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26705393
1-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081274
N-[(4-butoxy-3-methoxyphenyl)methyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 39970958
1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9092358
1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 9180398
1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide
CID 71904171
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 16551227
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732
1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide
CID 55414122
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46487299
N-(3,4-dipropoxyphenyl)oxane-4-carboxamide
CID 78800774
1-(4-chlorobenzoyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26878669

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide (CID 26920976) is 1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide is CCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1OCCC.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide?
The InChIKey is LIICQUOFGVRHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-3-15-32-22-10-9-21(17-23(22)33-16-4-2)27-25(29)19-11-13-28(14-12-19)34(30,31)24-8-6-5-7-20(24)18-26/h5-10,17,19H,3-4,11-16H2,1-2H3,(H,27,29).
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide?
1-(2-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-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26920976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).