morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone

C16H26N4O4S — CID 93069070

IUPACmorpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C16H26N4O4S/c1-13(2)19-11-15(17-12-19)25(22,23)20-5-3-4-14(10-20)16(21)18-6-8-24-9-7-18/h11-14H,3-10H2,1-2H3/t14-/m1/s1
InChIKeyFHYARECOOPODFY-CQSZACIVSA-N
MW370.48 g/mol
LogP0.72
Rot. Bonds4

About morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone

morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone (PubChem CID 93069070) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
PubChem CID93069070
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Namemorpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C16H26N4O4S/c1-13(2)19-11-15(17-12-19)25(22,23)20-5-3-4-14(10-20)16(21)18-6-8-24-9-7-18/h11-14H,3-10H2,1-2H3/t14-/m1/s1
InChIKeyFHYARECOOPODFY-CQSZACIVSA-N
XLogP0.72
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethylpiperazin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 53007851
[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 53007837
[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 93069053
(3R)-N-cyclopentyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073466
1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
CID 109379638
(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 53007812
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
(3R)-N-(2,5-dimethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073513
(3S)-N-(2-methylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073508
morpholin-4-yl-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 16605464
N-(furan-2-ylmethyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085733

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone (CID 93069070) is morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone is CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1.
What is the InChIKey of morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone?
The InChIKey is FHYARECOOPODFY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-13(2)19-11-15(17-12-19)25(22,23)20-5-3-4-14(10-20)16(21)18-6-8-24-9-7-18/h11-14H,3-10H2,1-2H3/t14-/m1/s1.
What are the key properties of morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone?
morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone has a molecular weight of 370.48 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 93069070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).