morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone

C19H27N3O3S — CID 47040772

IUPACmorpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone
SMILESCC(C)Sc1ncccc1C(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H27N3O3S/c1-14(2)26-17-16(6-3-7-20-17)19(24)22-8-4-5-15(13-22)18(23)21-9-11-25-12-10-21/h3,6-7,14-15H,4-5,8-13H2,1-2H3
InChIKeyJPKRHXZMCOULSM-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.29
Rot. Bonds4

About morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone

morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone (PubChem CID 47040772) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone
PubChem CID47040772
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Namemorpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone
SMILESCC(C)Sc1ncccc1C(=O)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H27N3O3S/c1-14(2)26-17-16(6-3-7-20-17)19(24)22-8-4-5-15(13-22)18(23)21-9-11-25-12-10-21/h3,6-7,14-15H,4-5,8-13H2,1-2H3
InChIKeyJPKRHXZMCOULSM-UHFFFAOYSA-N
XLogP2.29
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919070
morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 55517643
[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 42783455
[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329391
[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 84576155
[(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 125161347
2-[[3-[4-(1-aminoethyl)piperidine-1-carbonyl]-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 119519814
ethyl (3R)-1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 81338802
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503
2-[[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-2-pyridinyl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 119638215

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone (CID 47040772) is morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone is CC(C)Sc1ncccc1C(=O)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone?
The InChIKey is JPKRHXZMCOULSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-14(2)26-17-16(6-3-7-20-17)19(24)22-8-4-5-15(13-22)18(23)21-9-11-25-12-10-21/h3,6-7,14-15H,4-5,8-13H2,1-2H3.
What are the key properties of morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone?
morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone has a molecular weight of 377.51 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 47040772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).