1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide

C21H26ClN3O5S — CID 55897211

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccccc1OCCN(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C21H26ClN3O5S/c1-24(14-15-30-18-7-4-3-6-17(18)29-2)21(26)16-9-12-25(13-10-16)31(27,28)19-8-5-11-23-20(19)22/h3-8,11,16H,9-10,12-15H2,1-2H3
InChIKeyPHPJRHGLXQIXJN-UHFFFAOYSA-N
MW467.98 g/mol
LogP2.68
Rot. Bonds8

About 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55897211) has the molecular formula C21H26ClN3O5S and a molecular weight of 467.98 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide
PubChem CID55897211
Molecular FormulaC21H26ClN3O5S
Molecular Weight467.98 g/mol
Exact Mass467.13
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccccc1OCCN(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C21H26ClN3O5S/c1-24(14-15-30-18-7-4-3-6-17(18)29-2)21(26)16-9-12-25(13-10-16)31(27,28)19-8-5-11-23-20(19)22/h3-8,11,16H,9-10,12-15H2,1-2H3
InChIKeyPHPJRHGLXQIXJN-UHFFFAOYSA-N
XLogP2.68
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 55587245
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 34974210
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119294048
1-(4-chlorophenyl)sulfonyl-N-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 2470101
1-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 27795592
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 31122765
1-(4-fluorophenyl)sulfonyl-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 55897208
N-methyl-N-(2-phenoxyethyl)-1-sulfamoylpiperidine-4-carboxamide
CID 39912164
1-(4-ethoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 31670247
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27824459
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 55512060
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31304480

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide (CID 55897211) is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide is COc1ccccc1OCCN(C)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is PHPJRHGLXQIXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O5S/c1-24(14-15-30-18-7-4-3-6-17(18)29-2)21(26)16-9-12-25(13-10-16)31(27,28)19-8-5-11-23-20(19)22/h3-8,11,16H,9-10,12-15H2,1-2H3.
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 467.98 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55897211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).