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

C14H23N3O3 — CID 43421076

IUPAC1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCCc1noc(CCC(=O)N2CCCCC2CO)n1
InChIInChI=1S/C14H23N3O3/c1-2-5-12-15-13(20-16-12)7-8-14(19)17-9-4-3-6-11(17)10-18/h11,18H,2-10H2,1H3
InChIKeyDPCNGBNRBWFIMV-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.33
Rot. Bonds6

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

1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 43421076) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID43421076
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCCc1noc(CCC(=O)N2CCCCC2CO)n1
InChIInChI=1S/C14H23N3O3/c1-2-5-12-15-13(20-16-12)7-8-14(19)17-9-4-3-6-11(17)10-18/h11,18H,2-10H2,1H3
InChIKeyDPCNGBNRBWFIMV-UHFFFAOYSA-N
XLogP1.33
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.33
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-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 43421076) is 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one is CCCc1noc(CCC(=O)N2CCCCC2CO)n1.
What is the InChIKey of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is DPCNGBNRBWFIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-5-12-15-13(20-16-12)7-8-14(19)17-9-4-3-6-11(17)10-18/h11,18H,2-10H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[2-(hydroxymethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 281.36 g/mol, XLogP of 1.33, 6 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-propyl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 43421076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).