[(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone

C19H29N3O4S — CID 96534194

IUPAC[(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C19H29N3O4S/c1-19(2,3)27(24,25)17-7-6-16(13-20-17)22-8-4-5-15(14-22)18(23)21-9-11-26-12-10-21/h6-7,13,15H,4-5,8-12,14H2,1-3H3/t15-/m1/s1
InChIKeyWWSWMHBHZKURHT-OAHLLOKOSA-N
MW395.53 g/mol
LogP1.73
Rot. Bonds3

About [(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone

[(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 96534194) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is [(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID96534194
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name[(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C19H29N3O4S/c1-19(2,3)27(24,25)17-7-6-16(13-20-17)22-8-4-5-15(14-22)18(23)21-9-11-26-12-10-21/h6-7,13,15H,4-5,8-12,14H2,1-3H3/t15-/m1/s1
InChIKeyWWSWMHBHZKURHT-OAHLLOKOSA-N
XLogP1.73
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylsulfanylazepane
CID 102560377
N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360362
[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 51322299
[(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95100992
[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 133360026
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155976019
[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 53007837
morpholin-4-yl-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 16605464
[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155975861
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
3-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 155974260

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 96534194) is [(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone is CC(C)(C)S(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)cn1.
What is the InChIKey of [(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is WWSWMHBHZKURHT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-19(2,3)27(24,25)17-7-6-16(13-20-17)22-8-4-5-15(14-22)18(23)21-9-11-26-12-10-21/h6-7,13,15H,4-5,8-12,14H2,1-3H3/t15-/m1/s1.
What are the key properties of [(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone?
[(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 395.53 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 96534194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).