1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C26H31N3O4S — CID 55551073

IUPAC1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C(C)C2CC2)cc1
InChIInChI=1S/C26H31N3O4S/c1-19(22-7-8-22)29(18-21-3-9-24(33-2)10-4-21)26(30)23-13-15-28(16-14-23)34(31,32)25-11-5-20(17-27)6-12-25/h3-6,9-12,19,22-23H,7-8,13-16,18H2,1-2H3
InChIKeyYJYGKAAWMVSWLQ-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.79
Rot. Bonds8

About 1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 55551073) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is 1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID55551073
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC Name1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C(C)C2CC2)cc1
InChIInChI=1S/C26H31N3O4S/c1-19(22-7-8-22)29(18-21-3-9-24(33-2)10-4-21)26(30)23-13-15-28(16-14-23)34(31,32)25-11-5-20(17-27)6-12-25/h3-6,9-12,19,22-23H,7-8,13-16,18H2,1-2H3
InChIKeyYJYGKAAWMVSWLQ-UHFFFAOYSA-N
XLogP3.79
TPSA90.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 42888072
N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 134006146
1-(4-cyanophenyl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 41287615
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049422
(4-cyanophenyl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 29321290
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 26594403
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26378756
1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26689303
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 26273466
2-(4-cyanophenoxy)ethyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 30066412

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 55551073) is 1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C(C)C2CC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YJYGKAAWMVSWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-19(22-7-8-22)29(18-21-3-9-24(33-2)10-4-21)26(30)23-13-15-28(16-14-23)34(31,32)25-11-5-20(17-27)6-12-25/h3-6,9-12,19,22-23H,7-8,13-16,18H2,1-2H3.
What are the key properties of 1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 481.62 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55551073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).