(2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone

C18H24N4O3 — CID 145074212

IUPAC(2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CC[C@@H](c2noc(C(C)(C)O)n2)CN1C(=O)c1ccccc1N
InChIInChI=1S/C18H24N4O3/c1-11-8-9-12(15-20-17(25-21-15)18(2,3)24)10-22(11)16(23)13-6-4-5-7-14(13)19/h4-7,11-12,24H,8-10,19H2,1-3H3/t11-,12-/m1/s1
InChIKeyKWFGNFCBNIKJIC-VXGBXAGGSA-N
MW344.42 g/mol
LogP2.29
Rot. Bonds3

About (2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone

(2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone (PubChem CID 145074212) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone
PubChem CID145074212
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CC[C@@H](c2noc(C(C)(C)O)n2)CN1C(=O)c1ccccc1N
InChIInChI=1S/C18H24N4O3/c1-11-8-9-12(15-20-17(25-21-15)18(2,3)24)10-22(11)16(23)13-6-4-5-7-14(13)19/h4-7,11-12,24H,8-10,19H2,1-3H3/t11-,12-/m1/s1
InChIKeyKWFGNFCBNIKJIC-VXGBXAGGSA-N
XLogP2.29
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone (CID 145074212) is (2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone is C[C@@H]1CC[C@@H](c2noc(C(C)(C)O)n2)CN1C(=O)c1ccccc1N.
What is the InChIKey of (2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone?
The InChIKey is KWFGNFCBNIKJIC-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-8-9-12(15-20-17(25-21-15)18(2,3)24)10-22(11)16(23)13-6-4-5-7-14(13)19/h4-7,11-12,24H,8-10,19H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone?
(2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 145074212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).