1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide

C25H25N3O4S — CID 41287615

IUPAC1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc2cc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc2c1
InChIInChI=1S/C25H25N3O4S/c1-32-23-7-6-21-14-19(2-5-22(21)15-23)17-27-25(29)20-10-12-28(13-11-20)33(30,31)24-8-3-18(16-26)4-9-24/h2-9,14-15,20H,10-13,17H2,1H3,(H,27,29)
InChIKeyAIJUWEFWORBFDT-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.44
Rot. Bonds6

About 1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide

1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 41287615) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
PubChem CID41287615
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc2cc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc2c1
InChIInChI=1S/C25H25N3O4S/c1-32-23-7-6-21-14-19(2-5-22(21)15-23)17-27-25(29)20-10-12-28(13-11-20)33(30,31)24-8-3-18(16-26)4-9-24/h2-9,14-15,20H,10-13,17H2,1H3,(H,27,29)
InChIKeyAIJUWEFWORBFDT-UHFFFAOYSA-N
XLogP3.44
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanophenyl)sulfonyl-N-[(2,5-dimethylfuran-3-yl)methyl]piperidine-4-carboxamide
CID 86950358
1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874841
1-(4-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3192910
1-(4-cyanophenyl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 33456378
N-[3-(4-methoxyphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656350
1-(cyclopropanecarbonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 46692059
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 55847105
N-(2,2-dimethylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100799217
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 55669596
1-(4-methoxyphenyl)sulfonyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 133167706
1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26689303

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide (CID 41287615) is 1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide is COc1ccc2cc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc2c1.
What is the InChIKey of 1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is AIJUWEFWORBFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-32-23-7-6-21-14-19(2-5-22(21)15-23)17-27-25(29)20-10-12-28(13-11-20)33(30,31)24-8-3-18(16-26)4-9-24/h2-9,14-15,20H,10-13,17H2,1H3,(H,27,29).
What are the key properties of 1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide?
1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 41287615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).