cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone

C18H25N3O4S — CID 75476293

IUPACcyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC(S(=O)(=O)N2CCOc3ncccc32)C1
InChIInChI=1S/C18H25N3O4S/c22-18(14-5-1-2-6-14)20-10-4-7-15(13-20)26(23,24)21-11-12-25-17-16(21)8-3-9-19-17/h3,8-9,14-15H,1-2,4-7,10-13H2
InChIKeyHBDJLPLKHUSESF-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.79
Rot. Bonds3

About cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone

cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone (PubChem CID 75476293) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone
PubChem CID75476293
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Namecyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC(S(=O)(=O)N2CCOc3ncccc32)C1
InChIInChI=1S/C18H25N3O4S/c22-18(14-5-1-2-6-14)20-10-4-7-15(13-20)26(23,24)21-11-12-25-17-16(21)8-3-9-19-17/h3,8-9,14-15H,1-2,4-7,10-13H2
InChIKeyHBDJLPLKHUSESF-UHFFFAOYSA-N
XLogP1.79
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(3R)-1-(cyclopentanecarbonyl)-N-[(3-fluoro-2-pyridinyl)methyl]piperidine-3-sulfonamide
CID 97348660
(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide
CID 97348237
1-(cyclopentanecarbonyl)piperidine-3-sulfonyl chloride
CID 75480497
cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95853849
[3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone
CID 120874346
(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide
CID 97348392
3-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 155974260
(3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
CID 97348373
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 171141982
cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121184511
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794
(3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95311721

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone (CID 75476293) is cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCCC(S(=O)(=O)N2CCOc3ncccc32)C1.
What is the InChIKey of cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone?
The InChIKey is HBDJLPLKHUSESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c22-18(14-5-1-2-6-14)20-10-4-7-15(13-20)26(23,24)21-11-12-25-17-16(21)8-3-9-19-17/h3,8-9,14-15H,1-2,4-7,10-13H2.
What are the key properties of cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone?
cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone has a molecular weight of 379.48 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-ylsulfonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 75476293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).