1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide

C18H28N2O5S — CID 3891100

IUPAC1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1
InChIInChI=1S/C18H28N2O5S/c1-14-12-16(7-8-17(14)25-3)26(22,23)20-10-4-6-15(13-20)18(21)19-9-5-11-24-2/h7-8,12,15H,4-6,9-11,13H2,1-3H3,(H,19,21)
InChIKeyGRJYZSXIPGKCJD-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.56
Rot. Bonds8

About 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide

1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide (PubChem CID 3891100) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
PubChem CID3891100
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1
InChIInChI=1S/C18H28N2O5S/c1-14-12-16(7-8-17(14)25-3)26(22,23)20-10-4-6-15(13-20)18(21)19-9-5-11-24-2/h7-8,12,15H,4-6,9-11,13H2,1-3H3,(H,19,21)
InChIKeyGRJYZSXIPGKCJD-UHFFFAOYSA-N
XLogP1.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(2-methoxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302550
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 3162885
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
CID 40633716
N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3894563
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3156754
(3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 7453410
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 7457785
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861831
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 6490717
1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874869
N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43872836
N-butyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3214843

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide (CID 3891100) is 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide is COCCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide?
The InChIKey is GRJYZSXIPGKCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-14-12-16(7-8-17(14)25-3)26(22,23)20-10-4-6-15(13-20)18(21)19-9-5-11-24-2/h7-8,12,15H,4-6,9-11,13H2,1-3H3,(H,19,21).
What are the key properties of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide?
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 3891100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).