N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C17H26N2O4S — CID 3156754

IUPACN-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O4S/c1-14-6-8-16(9-7-14)24(21,22)19-11-3-5-15(13-19)17(20)18-10-4-12-23-2/h6-9,15H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyVTRJVTYHZZQOAL-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.55
Rot. Bonds7

About N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 3156754) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID3156754
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O4S/c1-14-6-8-16(9-7-14)24(21,22)19-11-3-5-15(13-19)17(20)18-10-4-12-23-2/h6-9,15H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyVTRJVTYHZZQOAL-UHFFFAOYSA-N
XLogP1.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 95056916
(3S)-1-(4-methylphenyl)sulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 124626205
N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119431683
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 3891100
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 3162885
(3S)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1081589
(3S)-1-(4-tert-butylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 7441886
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197596
(3R)-N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156195
N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 86973039
1-(4-methylphenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-3-carboxamide
CID 4076674

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 3156754) is N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is COCCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is VTRJVTYHZZQOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-14-6-8-16(9-7-14)24(21,22)19-11-3-5-15(13-19)17(20)18-10-4-12-23-2/h6-9,15H,3-5,10-13H2,1-2H3,(H,18,20).
What are the key properties of N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3156754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).