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

C20H29N3O3 — CID 25456411

IUPAC(1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol
SMILESCOc1ccc(-c2noc(CN3CCC([C@H](O)CC(C)C)CC3)n2)cc1
InChIInChI=1S/C20H29N3O3/c1-14(2)12-18(24)15-8-10-23(11-9-15)13-19-21-20(22-26-19)16-4-6-17(25-3)7-5-16/h4-7,14-15,18,24H,8-13H2,1-3H3/t18-/m1/s1
InChIKeyQRBNNOAYYIWVHE-GOSISDBHSA-N
MW359.47 g/mol
LogP3.36
Rot. Bonds7

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

(1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol (PubChem CID 25456411) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol
PubChem CID25456411
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol
SMILESCOc1ccc(-c2noc(CN3CCC([C@H](O)CC(C)C)CC3)n2)cc1
InChIInChI=1S/C20H29N3O3/c1-14(2)12-18(24)15-8-10-23(11-9-15)13-19-21-20(22-26-19)16-4-6-17(25-3)7-5-16/h4-7,14-15,18,24H,8-13H2,1-3H3/t18-/m1/s1
InChIKeyQRBNNOAYYIWVHE-GOSISDBHSA-N
XLogP3.36
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908822
(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]-N-methylpiperidine-4-carboxamide
CID 42542228
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 957363
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345772
(2S)-2-amino-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-4-methylpentan-1-one
CID 119839906
(2S)-2-amino-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119839905
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 38150116
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905454
(4-ethylpiperazin-1-yl)-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38148901
3-(4-methoxyphenyl)-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 25280159
(3R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-ol
CID 28958156

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol?
The IUPAC name of (1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol (CID 25456411) is (1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol.
What is the SMILES notation for (1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol?
The canonical SMILES for (1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol is COc1ccc(-c2noc(CN3CCC([C@H](O)CC(C)C)CC3)n2)cc1.
What is the InChIKey of (1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol?
The InChIKey is QRBNNOAYYIWVHE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)12-18(24)15-8-10-23(11-9-15)13-19-21-20(22-26-19)16-4-6-17(25-3)7-5-16/h4-7,14-15,18,24H,8-13H2,1-3H3/t18-/m1/s1.
What are the key properties of (1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol?
(1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol has a molecular weight of 359.47 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 25456411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).