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

C12H19N3O3 — CID 43429256

IUPAC1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCc1noc(CCC(=O)N2CCCCC2CO)n1
InChIInChI=1S/C12H19N3O3/c1-9-13-11(18-14-9)5-6-12(17)15-7-3-2-4-10(15)8-16/h10,16H,2-8H2,1H3
InChIKeySQZAYNZVRSAJOT-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.68
Rot. Bonds4

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

1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 43429256) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID43429256
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCc1noc(CCC(=O)N2CCCCC2CO)n1
InChIInChI=1S/C12H19N3O3/c1-9-13-11(18-14-9)5-6-12(17)15-7-3-2-4-10(15)8-16/h10,16H,2-8H2,1H3
InChIKeySQZAYNZVRSAJOT-UHFFFAOYSA-N
XLogP0.68
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 43429256) is 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one is Cc1noc(CCC(=O)N2CCCCC2CO)n1.
What is the InChIKey of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is SQZAYNZVRSAJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-13-11(18-14-9)5-6-12(17)15-7-3-2-4-10(15)8-16/h10,16H,2-8H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 253.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 43429256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).