2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide

C17H23N3O5S — CID 155960607

IUPAC2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide
SMILESCON1CCC(CC(=O)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C17H23N3O5S/c1-25-20-8-6-12(7-9-20)10-17(22)19-26(23,24)14-3-4-15-13(11-14)2-5-16(21)18-15/h3-4,11-12H,2,5-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyXJQFVRUJQMJADE-UHFFFAOYSA-N
MW381.45 g/mol
LogP1.04
Rot. Bonds5

About 2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide

2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide (PubChem CID 155960607) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide.

Molecular Properties

Compound Name2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide
PubChem CID155960607
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Name2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide
SMILESCON1CCC(CC(=O)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C17H23N3O5S/c1-25-20-8-6-12(7-9-20)10-17(22)19-26(23,24)14-3-4-15-13(11-14)2-5-16(21)18-15/h3-4,11-12H,2,5-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyXJQFVRUJQMJADE-UHFFFAOYSA-N
XLogP1.04
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide?
The IUPAC name of 2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide (CID 155960607) is 2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide.
What is the SMILES notation for 2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide?
The canonical SMILES for 2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide is CON1CCC(CC(=O)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide?
The InChIKey is XJQFVRUJQMJADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-25-20-8-6-12(7-9-20)10-17(22)19-26(23,24)14-3-4-15-13(11-14)2-5-16(21)18-15/h3-4,11-12H,2,5-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide?
2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide has a molecular weight of 381.45 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide is sourced from PubChem (CID 155960607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).