(3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone

C16H20N4O3 — CID 51088519

IUPAC(3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone
SMILESCc1noc(CNc2ccccc2C(=O)N2CCCC(O)C2)n1
InChIInChI=1S/C16H20N4O3/c1-11-18-15(23-19-11)9-17-14-7-3-2-6-13(14)16(22)20-8-4-5-12(21)10-20/h2-3,6-7,12,17,21H,4-5,8-10H2,1H3
InChIKeyRZIXFBVNLLEUSR-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.59
Rot. Bonds4

About (3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone

(3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone (PubChem CID 51088519) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone
PubChem CID51088519
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone
SMILESCc1noc(CNc2ccccc2C(=O)N2CCCC(O)C2)n1
InChIInChI=1S/C16H20N4O3/c1-11-18-15(23-19-11)9-17-14-7-3-2-6-13(14)16(22)20-8-4-5-12(21)10-20/h2-3,6-7,12,17,21H,4-5,8-10H2,1H3
InChIKeyRZIXFBVNLLEUSR-UHFFFAOYSA-N
XLogP1.59
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone (CID 51088519) is (3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone is Cc1noc(CNc2ccccc2C(=O)N2CCCC(O)C2)n1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone?
The InChIKey is RZIXFBVNLLEUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-18-15(23-19-11)9-17-14-7-3-2-6-13(14)16(22)20-8-4-5-12(21)10-20/h2-3,6-7,12,17,21H,4-5,8-10H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone?
(3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone has a molecular weight of 316.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone is sourced from PubChem (CID 51088519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).