(1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol

C20H23N3O2 — CID 100839467

IUPAC(1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol
SMILESCc1noc([C@H]2CCCN(C[C@@H](O)c3ccc4ccccc4c3)C2)n1
InChIInChI=1S/C20H23N3O2/c1-14-21-20(25-22-14)18-7-4-10-23(12-18)13-19(24)17-9-8-15-5-2-3-6-16(15)11-17/h2-3,5-6,8-9,11,18-19,24H,4,7,10,12-13H2,1H3/t18-,19+/m0/s1
InChIKeyZGAWIQQTODRPID-RBUKOAKNSA-N
MW337.42 g/mol
LogP3.44
Rot. Bonds4

About (1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol

(1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol (PubChem CID 100839467) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name(1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol
PubChem CID100839467
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol
SMILESCc1noc([C@H]2CCCN(C[C@@H](O)c3ccc4ccccc4c3)C2)n1
InChIInChI=1S/C20H23N3O2/c1-14-21-20(25-22-14)18-7-4-10-23(12-18)13-19(24)17-9-8-15-5-2-3-6-16(15)11-17/h2-3,5-6,8-9,11,18-19,24H,4,7,10,12-13H2,1H3/t18-,19+/m0/s1
InChIKeyZGAWIQQTODRPID-RBUKOAKNSA-N
XLogP3.44
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol
CID 97075133
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-phenylethanol
CID 110903115
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol
CID 111487555
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866
(1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol
CID 95780115
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067
N-benzyl-N-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 75462039
2-(2,3-dimethylpiperidin-1-yl)-1-naphthalen-2-ylethanol
CID 62122893
5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60525893
5-[(3R)-1-[3-(3-chlorophenoxy)propyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 95149279
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carbothioamide
CID 48840230
1-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 110903106

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol?
The IUPAC name of (1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol (CID 100839467) is (1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol.
What is the SMILES notation for (1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol?
The canonical SMILES for (1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol is Cc1noc([C@H]2CCCN(C[C@@H](O)c3ccc4ccccc4c3)C2)n1.
What is the InChIKey of (1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol?
The InChIKey is ZGAWIQQTODRPID-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-21-20(25-22-14)18-7-4-10-23(12-18)13-19(24)17-9-8-15-5-2-3-6-16(15)11-17/h2-3,5-6,8-9,11,18-19,24H,4,7,10,12-13H2,1H3/t18-,19+/m0/s1.
What are the key properties of (1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol?
(1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol has a molecular weight of 337.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 100839467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).