(3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol

C20H28N4O3 — CID 28958156

IUPAC(3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol
SMILESCOc1ccc(-c2noc(CN3CCC(N4CCC[C@@H](O)C4)CC3)n2)cc1
InChIInChI=1S/C20H28N4O3/c1-26-18-6-4-15(5-7-18)20-21-19(27-22-20)14-23-11-8-16(9-12-23)24-10-2-3-17(25)13-24/h4-7,16-17,25H,2-3,8-14H2,1H3/t17-/m1/s1
InChIKeyNDOGYKMIODQWTN-QGZVFWFLSA-N
MW372.47 g/mol
LogP2.17
Rot. Bonds5

About (3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol

(3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol (PubChem CID 28958156) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol
PubChem CID28958156
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name(3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol
SMILESCOc1ccc(-c2noc(CN3CCC(N4CCC[C@@H](O)C4)CC3)n2)cc1
InChIInChI=1S/C20H28N4O3/c1-26-18-6-4-15(5-7-18)20-21-19(27-22-20)14-23-11-8-16(9-12-23)24-10-2-3-17(25)13-24/h4-7,16-17,25H,2-3,8-14H2,1H3/t17-/m1/s1
InChIKeyNDOGYKMIODQWTN-QGZVFWFLSA-N
XLogP2.17
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol with MolForge

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Related Compounds

(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963710
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908822
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 43927604
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 957363
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905454
N-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]acetamide
CID 87014515
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542228
(1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol
CID 25456411
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 26518855
3-(4-methoxyphenyl)-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 25280159
3-(4-methoxyphenyl)-5-[[(3S)-3-propoxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42383127
N-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148646

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol (CID 28958156) is (3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol is COc1ccc(-c2noc(CN3CCC(N4CCC[C@@H](O)C4)CC3)n2)cc1.
What is the InChIKey of (3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol?
The InChIKey is NDOGYKMIODQWTN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-26-18-6-4-15(5-7-18)20-21-19(27-22-20)14-23-11-8-16(9-12-23)24-10-2-3-17(25)13-24/h4-7,16-17,25H,2-3,8-14H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol?
(3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol has a molecular weight of 372.47 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 28958156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).