[4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone

C12H19N3O3 — CID 66692945

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESCC(C)c1noc(C(=O)N2CCC(CO)CC2)n1
InChIInChI=1S/C12H19N3O3/c1-8(2)10-13-11(18-14-10)12(17)15-5-3-9(7-16)4-6-15/h8-9,16H,3-7H2,1-2H3
InChIKeySKMCDKIEJLSQST-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.04
Rot. Bonds3

About [4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone

[4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone (PubChem CID 66692945) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone
PubChem CID66692945
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESCC(C)c1noc(C(=O)N2CCC(CO)CC2)n1
InChIInChI=1S/C12H19N3O3/c1-8(2)10-13-11(18-14-10)12(17)15-5-3-9(7-16)4-6-15/h8-9,16H,3-7H2,1-2H3
InChIKeySKMCDKIEJLSQST-UHFFFAOYSA-N
XLogP1.04
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone (CID 66692945) is [4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone is CC(C)c1noc(C(=O)N2CCC(CO)CC2)n1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The InChIKey is SKMCDKIEJLSQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)10-13-11(18-14-10)12(17)15-5-3-9(7-16)4-6-15/h8-9,16H,3-7H2,1-2H3.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone?
[4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone has a molecular weight of 253.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanone is sourced from PubChem (CID 66692945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).