1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide

C21H29N3O7S — CID 55624392

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide
SMILESCOCCOc1cc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)ccc1OC
InChIInChI=1S/C21H29N3O7S/c1-14-20(15(2)31-23-14)32(26,27)24-9-5-6-16(13-24)21(25)22-17-7-8-18(29-4)19(12-17)30-11-10-28-3/h7-8,12,16H,5-6,9-11,13H2,1-4H3,(H,22,25)
InChIKeyLEZALCLJUQFTPW-UHFFFAOYSA-N
MW467.54 g/mol
LogP2.36
Rot. Bonds9

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide (PubChem CID 55624392) has the molecular formula C21H29N3O7S and a molecular weight of 467.54 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide
PubChem CID55624392
Molecular FormulaC21H29N3O7S
Molecular Weight467.54 g/mol
Exact Mass467.17
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide
SMILESCOCCOc1cc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)ccc1OC
InChIInChI=1S/C21H29N3O7S/c1-14-20(15(2)31-23-14)32(26,27)24-9-5-6-16(13-24)21(25)22-17-7-8-18(29-4)19(12-17)30-11-10-28-3/h7-8,12,16H,5-6,9-11,13H2,1-4H3,(H,22,25)
InChIKeyLEZALCLJUQFTPW-UHFFFAOYSA-N
XLogP2.36
TPSA120.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 24532242
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 40640936
(3S)-N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 27896491
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 24532822
(3S)-N-(3,4-dimethoxyphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447145
N-(3-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335753
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(3-fluorophenoxy)phenyl]piperidine-3-carboxamide
CID 55907687
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(3-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 55586189
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide
CID 55900762
(3R)-N-(3,4-dimethoxyphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126398481
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55588365
(5-chloro-2-methoxyphenyl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 46685636

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide (CID 55624392) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide is COCCOc1cc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)ccc1OC.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is LEZALCLJUQFTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O7S/c1-14-20(15(2)31-23-14)32(26,27)24-9-5-6-16(13-24)21(25)22-17-7-8-18(29-4)19(12-17)30-11-10-28-3/h7-8,12,16H,5-6,9-11,13H2,1-4H3,(H,22,25).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 467.54 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55624392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).