1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C18H26N2O5S — CID 2925242

IUPAC1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C18H26N2O5S/c1-24-15-4-6-17(7-5-15)26(22,23)20-10-8-14(9-11-20)18(21)19-13-16-3-2-12-25-16/h4-7,14,16H,2-3,8-13H2,1H3,(H,19,21)
InChIKeyLPAHLFHVAQZRGU-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.39
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 2925242) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID2925242
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C18H26N2O5S/c1-24-15-4-6-17(7-5-15)26(22,23)20-10-8-14(9-11-20)18(21)19-13-16-3-2-12-25-16/h4-7,14,16H,2-3,8-13H2,1H3,(H,19,21)
InChIKeyLPAHLFHVAQZRGU-UHFFFAOYSA-N
XLogP1.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 2925242) is 1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is LPAHLFHVAQZRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-24-15-4-6-17(7-5-15)26(22,23)20-10-8-14(9-11-20)18(21)19-13-16-3-2-12-25-16/h4-7,14,16H,2-3,8-13H2,1H3,(H,19,21).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2925242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).