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

C18H23N3O3 — CID 136522002

IUPAC1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(C)(c3nc(C)no3)CC2)cc1
InChIInChI=1S/C18H23N3O3/c1-13-4-6-15(7-5-13)23-12-16(22)21-10-8-18(3,9-11-21)17-19-14(2)20-24-17/h4-7H,8-12H2,1-3H3
InChIKeyRFBHTARDOLJWKL-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.65
Rot. Bonds4

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

1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 136522002) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID136522002
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(C)(c3nc(C)no3)CC2)cc1
InChIInChI=1S/C18H23N3O3/c1-13-4-6-15(7-5-13)23-12-16(22)21-10-8-18(3,9-11-21)17-19-14(2)20-24-17/h4-7H,8-12H2,1-3H3
InChIKeyRFBHTARDOLJWKL-UHFFFAOYSA-N
XLogP2.65
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 80706485
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methylphenoxy)ethanone
CID 163309558
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 120929707
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
2-(4-methylphenoxy)-1-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 110409373
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one
CID 56885360
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615
2-(4-chlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706729

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone (CID 136522002) is 1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCC(C)(c3nc(C)no3)CC2)cc1.
What is the InChIKey of 1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is RFBHTARDOLJWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-4-6-15(7-5-13)23-12-16(22)21-10-8-18(3,9-11-21)17-19-14(2)20-24-17/h4-7H,8-12H2,1-3H3.
What are the key properties of 1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 329.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 136522002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).