(3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol

C20H21N3O2 — CID 56720699

IUPAC(3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol
SMILESO[C@@H]1CN(c2noc(C3CC3)n2)CC[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C20H21N3O2/c24-18-12-23(20-21-19(25-22-20)14-6-7-14)10-9-17(18)16-8-5-13-3-1-2-4-15(13)11-16/h1-5,8,11,14,17-18,24H,6-7,9-10,12H2/t17-,18+/m0/s1
InChIKeyDGHRDGDSQFUPML-ZWKOTPCHSA-N
MW335.41 g/mol
LogP3.45
Rot. Bonds3

About (3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol

(3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol (PubChem CID 56720699) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol
PubChem CID56720699
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol
SMILESO[C@@H]1CN(c2noc(C3CC3)n2)CC[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C20H21N3O2/c24-18-12-23(20-21-19(25-22-20)14-6-7-14)10-9-17(18)16-8-5-13-3-1-2-4-15(13)11-16/h1-5,8,11,14,17-18,24H,6-7,9-10,12H2/t17-,18+/m0/s1
InChIKeyDGHRDGDSQFUPML-ZWKOTPCHSA-N
XLogP3.45
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol?
The IUPAC name of (3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol (CID 56720699) is (3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol?
The canonical SMILES for (3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol is O[C@@H]1CN(c2noc(C3CC3)n2)CC[C@H]1c1ccc2ccccc2c1.
What is the InChIKey of (3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol?
The InChIKey is DGHRDGDSQFUPML-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-18-12-23(20-21-19(25-22-20)14-6-7-14)10-9-17(18)16-8-5-13-3-1-2-4-15(13)11-16/h1-5,8,11,14,17-18,24H,6-7,9-10,12H2/t17-,18+/m0/s1.
What are the key properties of (3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol?
(3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol has a molecular weight of 335.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol is sourced from PubChem (CID 56720699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).