1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone

C18H23N3O2 — CID 155266461

IUPAC1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CN2CCC(Cc3nc(C)no3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c1-13(22)17-5-3-16(4-6-17)12-21-9-7-15(8-10-21)11-18-19-14(2)20-23-18/h3-6,15H,7-12H2,1-2H3
InChIKeyIBHKCIFQJNHLMT-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.04
Rot. Bonds5

About 1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone

1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone (PubChem CID 155266461) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone
PubChem CID155266461
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CN2CCC(Cc3nc(C)no3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c1-13(22)17-5-3-16(4-6-17)12-21-9-7-15(8-10-21)11-18-19-14(2)20-23-18/h3-6,15H,7-12H2,1-2H3
InChIKeyIBHKCIFQJNHLMT-UHFFFAOYSA-N
XLogP3.04
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone (CID 155266461) is 1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone is CC(=O)c1ccc(CN2CCC(Cc3nc(C)no3)CC2)cc1.
What is the InChIKey of 1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone?
The InChIKey is IBHKCIFQJNHLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(22)17-5-3-16(4-6-17)12-21-9-7-15(8-10-21)11-18-19-14(2)20-23-18/h3-6,15H,7-12H2,1-2H3.
What are the key properties of 1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone?
1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone has a molecular weight of 313.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 155266461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).