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

C17H21N3O3 — CID 110423701

IUPAC1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(c3nnc(C)o3)CC2)cc1
InChIInChI=1S/C17H21N3O3/c1-12-3-5-15(6-4-12)22-11-16(21)20-9-7-14(8-10-20)17-19-18-13(2)23-17/h3-6,14H,7-11H2,1-2H3
InChIKeyTWDOUXXQDOUNCX-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.47
Rot. Bonds4

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

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 110423701) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID110423701
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(c3nnc(C)o3)CC2)cc1
InChIInChI=1S/C17H21N3O3/c1-12-3-5-15(6-4-12)22-11-16(21)20-9-7-14(8-10-20)17-19-18-13(2)23-17/h3-6,14H,7-11H2,1-2H3
InChIKeyTWDOUXXQDOUNCX-UHFFFAOYSA-N
XLogP2.47
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 110618119
1-[4-(5-amino-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 146137650
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110725820
2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121165003
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-(4-methylphenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 120833369
1-(5-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246426
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
4-[2-[3-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide
CID 167987352
2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110866981
1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 108730604

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone (CID 110423701) is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCC(c3nnc(C)o3)CC2)cc1.
What is the InChIKey of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is TWDOUXXQDOUNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-3-5-15(6-4-12)22-11-16(21)20-9-7-14(8-10-20)17-19-18-13(2)23-17/h3-6,14H,7-11H2,1-2H3.
What are the key properties of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 315.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 110423701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).