morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone

C16H22N2O2S — CID 143305046

IUPACmorpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone
SMILESO=C(c1ccc(C2CCN(S)CC2)cc1)N1CCOCC1
InChIInChI=1S/C16H22N2O2S/c19-16(17-9-11-20-12-10-17)15-3-1-13(2-4-15)14-5-7-18(21)8-6-14/h1-4,14,21H,5-12H2
InChIKeyBWWYYUIKTBJBMK-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.18
Rot. Bonds2

About morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone

morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone (PubChem CID 143305046) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone
PubChem CID143305046
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Namemorpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone
SMILESO=C(c1ccc(C2CCN(S)CC2)cc1)N1CCOCC1
InChIInChI=1S/C16H22N2O2S/c19-16(17-9-11-20-12-10-17)15-3-1-13(2-4-15)14-5-7-18(21)8-6-14/h1-4,14,21H,5-12H2
InChIKeyBWWYYUIKTBJBMK-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
lithium 4-(morpholine-4-carbonyl)benzoate
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morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 15290353
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379
[4-(3-bromo-2,5-dihydro-1,2-oxazol-5-yl)phenyl]-morpholin-4-ylmethanone
CID 90928789
[3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone
CID 171121608
4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid
CID 177244727
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone (CID 143305046) is morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone is O=C(c1ccc(C2CCN(S)CC2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone?
The InChIKey is BWWYYUIKTBJBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-16(17-9-11-20-12-10-17)15-3-1-13(2-4-15)14-5-7-18(21)8-6-14/h1-4,14,21H,5-12H2.
What are the key properties of morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone?
morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone has a molecular weight of 306.43 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone is sourced from PubChem (CID 143305046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).