morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone

C27H37N5O4 — CID 129104922

IUPACmorpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone
SMILESCC(C)c1noc(N2CCC(COc3ccc(C4=CCC(C(=O)N5CCOCC5)CC4)cn3)CC2)n1
InChIInChI=1S/C27H37N5O4/c1-19(2)25-29-27(36-30-25)32-11-9-20(10-12-32)18-35-24-8-7-23(17-28-24)21-3-5-22(6-4-21)26(33)31-13-15-34-16-14-31/h3,7-8,17,19-20,22H,4-6,9-16,18H2,1-2H3
InChIKeyLUHCDAJYGXBRAE-UHFFFAOYSA-N
MW495.62 g/mol
LogP3.93
Rot. Bonds7

About morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone

morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone (PubChem CID 129104922) has the molecular formula C27H37N5O4 and a molecular weight of 495.62 g/mol. Its IUPAC name is morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone
PubChem CID129104922
Molecular FormulaC27H37N5O4
Molecular Weight495.62 g/mol
Exact Mass495.28
IUPAC Namemorpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone
SMILESCC(C)c1noc(N2CCC(COc3ccc(C4=CCC(C(=O)N5CCOCC5)CC4)cn3)CC2)n1
InChIInChI=1S/C27H37N5O4/c1-19(2)25-29-27(36-30-25)32-11-9-20(10-12-32)18-35-24-8-7-23(17-28-24)21-3-5-22(6-4-21)26(33)31-13-15-34-16-14-31/h3,7-8,17,19-20,22H,4-6,9-16,18H2,1-2H3
InChIKeyLUHCDAJYGXBRAE-UHFFFAOYSA-N
XLogP3.93
TPSA93.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-hydroxyazetidin-1-yl)-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
CID 123328287
azetidin-1-yl-[4-[3-fluoro-4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
CID 129104893
1-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-ene-1-carbonyl]piperidine-4-carbonitrile
CID 123936551
[3-(dimethylamino)pyrrolidin-1-yl]-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone;hydrochloride
CID 126640234
(4-cyclopropylpiperazin-1-yl)-[4-[3-fluoro-4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
CID 129104866
[4-[3-fluoro-4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
CID 126640270
[4-[4-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methyl]oxidanium
CID 144954214
[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
CID 123629947
[3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
CID 123816313
3-[[2-[4-[3-fluoro-4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-2-oxoethyl]amino]propanoic acid
CID 146427089
tert-butyl 4-[[5-[4-(3-methylpyrrolidine-1-carbonyl)cyclohexen-1-yl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 144954215
3-[methyl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-ene-1-carbonyl]amino]propylcarbamic acid
CID 146418194

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone (CID 129104922) is morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone is CC(C)c1noc(N2CCC(COc3ccc(C4=CCC(C(=O)N5CCOCC5)CC4)cn3)CC2)n1.
What is the InChIKey of morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone?
The InChIKey is LUHCDAJYGXBRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O4/c1-19(2)25-29-27(36-30-25)32-11-9-20(10-12-32)18-35-24-8-7-23(17-28-24)21-3-5-22(6-4-21)26(33)31-13-15-34-16-14-31/h3,7-8,17,19-20,22H,4-6,9-16,18H2,1-2H3.
What are the key properties of morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone?
morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone has a molecular weight of 495.62 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone is sourced from PubChem (CID 129104922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).