(3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol

C16H25N3O3 — CID 72901716

IUPAC(3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESC[C@@H]1CN(c2noc(C3CC3)n2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C16H25N3O3/c1-11-10-19(15-17-14(22-18-15)12-2-3-12)7-6-16(11,20)13-4-8-21-9-5-13/h11-13,20H,2-10H2,1H3/t11-,16+/m1/s1
InChIKeyVWHZZQGWGQIMQE-BZNIZROVSA-N
MW307.39 g/mol
LogP1.95
Rot. Bonds3

About (3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol

(3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol (PubChem CID 72901716) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
PubChem CID72901716
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESC[C@@H]1CN(c2noc(C3CC3)n2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C16H25N3O3/c1-11-10-19(15-17-14(22-18-15)12-2-3-12)7-6-16(11,20)13-4-8-21-9-5-13/h11-13,20H,2-10H2,1H3/t11-,16+/m1/s1
InChIKeyVWHZZQGWGQIMQE-BZNIZROVSA-N
XLogP1.95
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol (CID 72901716) is (3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol is C[C@@H]1CN(c2noc(C3CC3)n2)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of (3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The InChIKey is VWHZZQGWGQIMQE-BZNIZROVSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-10-19(15-17-14(22-18-15)12-2-3-12)7-6-16(11,20)13-4-8-21-9-5-13/h11-13,20H,2-10H2,1H3/t11-,16+/m1/s1.
What are the key properties of (3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
(3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol has a molecular weight of 307.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol is sourced from PubChem (CID 72901716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).