1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

C20H31N3O5S — CID 6491895

IUPAC1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN3CCOCC3)C2)cc1C
InChIInChI=1S/C20H31N3O5S/c1-16-14-18(5-6-19(16)27-2)29(25,26)23-8-3-4-17(15-23)20(24)21-7-9-22-10-12-28-13-11-22/h5-6,14,17H,3-4,7-13,15H2,1-2H3,(H,21,24)
InChIKeyMMJRNGQHIBSURQ-UHFFFAOYSA-N
MW425.55 g/mol
LogP0.85
Rot. Bonds7

About 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (PubChem CID 6491895) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
PubChem CID6491895
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC Name1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN3CCOCC3)C2)cc1C
InChIInChI=1S/C20H31N3O5S/c1-16-14-18(5-6-19(16)27-2)29(25,26)23-8-3-4-17(15-23)20(24)21-7-9-22-10-12-28-13-11-22/h5-6,14,17H,3-4,7-13,15H2,1-2H3,(H,21,24)
InChIKeyMMJRNGQHIBSURQ-UHFFFAOYSA-N
XLogP0.85
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (CID 6491895) is 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN3CCOCC3)C2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The InChIKey is MMJRNGQHIBSURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-16-14-18(5-6-19(16)27-2)29(25,26)23-8-3-4-17(15-23)20(24)21-7-9-22-10-12-28-13-11-22/h5-6,14,17H,3-4,7-13,15H2,1-2H3,(H,21,24).
What are the key properties of 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 6491895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).