1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C20H31N3O6S — CID 6491885

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1OC
InChIInChI=1S/C20H31N3O6S/c1-27-18-4-3-17(15-19(18)28-2)30(25,26)23-8-5-16(6-9-23)20(24)21-7-10-22-11-13-29-14-12-22/h3-4,15-16H,5-14H2,1-2H3,(H,21,24)
InChIKeyBHYZDBRACIWCNY-UHFFFAOYSA-N
MW441.55 g/mol
LogP0.55
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 6491885) has the molecular formula C20H31N3O6S and a molecular weight of 441.55 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID6491885
Molecular FormulaC20H31N3O6S
Molecular Weight441.55 g/mol
Exact Mass441.19
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1OC
InChIInChI=1S/C20H31N3O6S/c1-27-18-4-3-17(15-19(18)28-2)30(25,26)23-8-5-16(6-9-23)20(24)21-7-10-22-11-13-29-14-12-22/h3-4,15-16H,5-14H2,1-2H3,(H,21,24)
InChIKeyBHYZDBRACIWCNY-UHFFFAOYSA-N
XLogP0.55
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 6491885) is 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is BHYZDBRACIWCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O6S/c1-27-18-4-3-17(15-19(18)28-2)30(25,26)23-8-5-16(6-9-23)20(24)21-7-10-22-11-13-29-14-12-22/h3-4,15-16H,5-14H2,1-2H3,(H,21,24).
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 6491885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).