morpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone

C23H37N5O5S — CID 46885049

IUPACmorpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESCCCS(=O)(=O)N1CCN(c2ccc(OCC3CCN(C(=O)N4CCOCC4)CC3)cn2)CC1
InChIInChI=1S/C23H37N5O5S/c1-2-17-34(30,31)28-11-9-25(10-12-28)22-4-3-21(18-24-22)33-19-20-5-7-26(8-6-20)23(29)27-13-15-32-16-14-27/h3-4,18,20H,2,5-17,19H2,1H3
InChIKeyPNLYWRXTTZTKPC-UHFFFAOYSA-N
MW495.65 g/mol
LogP1.49
Rot. Bonds7

About morpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone

morpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone (PubChem CID 46885049) has the molecular formula C23H37N5O5S and a molecular weight of 495.65 g/mol. Its IUPAC name is morpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
PubChem CID46885049
Molecular FormulaC23H37N5O5S
Molecular Weight495.65 g/mol
Exact Mass495.25
IUPAC Namemorpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESCCCS(=O)(=O)N1CCN(c2ccc(OCC3CCN(C(=O)N4CCOCC4)CC3)cn2)CC1
InChIInChI=1S/C23H37N5O5S/c1-2-17-34(30,31)28-11-9-25(10-12-28)22-4-3-21(18-24-22)33-19-20-5-7-26(8-6-20)23(29)27-13-15-32-16-14-27/h3-4,18,20H,2,5-17,19H2,1H3
InChIKeyPNLYWRXTTZTKPC-UHFFFAOYSA-N
XLogP1.49
TPSA95.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze morpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3S,4S)-3-hydroxy-4-[[6-[4-(2-methylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylic acid
CID 68732105
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 155800726
methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 90086503
morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
CID 53150425
(1-methylcyclopropyl) 4-[[5-[4-[2-(methylamino)ethylsulfonyl]piperazin-1-yl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 143780656
4-[4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50947472
[3-(methoxymethyl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 45232737
3-[4-[5-[[1-(1-methylcyclopropyl)oxycarbonylpiperidin-4-yl]methoxy]pyrazin-2-yl]piperazin-1-yl]sulfonylpropanoic acid
CID 25253311
1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine
CID 113079079
4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 70703503
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24613666

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone (CID 46885049) is morpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone is CCCS(=O)(=O)N1CCN(c2ccc(OCC3CCN(C(=O)N4CCOCC4)CC3)cn2)CC1.
What is the InChIKey of morpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The InChIKey is PNLYWRXTTZTKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O5S/c1-2-17-34(30,31)28-11-9-25(10-12-28)22-4-3-21(18-24-22)33-19-20-5-7-26(8-6-20)23(29)27-13-15-32-16-14-27/h3-4,18,20H,2,5-17,19H2,1H3.
What are the key properties of morpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
morpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone has a molecular weight of 495.65 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46885049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).