[3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone

C28H36N4O5 — CID 66656105

IUPAC[3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone
SMILESCCC1(CO)CCN(Cc2ccc(OC3CN(C(=O)N4NC=C(c5ccc(OC)cc5)O4)C3)cc2)CC1
InChIInChI=1S/C28H36N4O5/c1-3-28(20-33)12-14-30(15-13-28)17-21-4-8-24(9-5-21)36-25-18-31(19-25)27(34)32-29-16-26(37-32)22-6-10-23(35-2)11-7-22/h4-11,16,25,29,33H,3,12-15,17-20H2,1-2H3
InChIKeyFFAOOTBFATZFLO-UHFFFAOYSA-N
MW508.62 g/mol
LogP3.61
Rot. Bonds8

About [3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone

[3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone (PubChem CID 66656105) has the molecular formula C28H36N4O5 and a molecular weight of 508.62 g/mol. Its IUPAC name is [3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Name[3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone
PubChem CID66656105
Molecular FormulaC28H36N4O5
Molecular Weight508.62 g/mol
Exact Mass508.27
IUPAC Name[3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone
SMILESCCC1(CO)CCN(Cc2ccc(OC3CN(C(=O)N4NC=C(c5ccc(OC)cc5)O4)C3)cc2)CC1
InChIInChI=1S/C28H36N4O5/c1-3-28(20-33)12-14-30(15-13-28)17-21-4-8-24(9-5-21)36-25-18-31(19-25)27(34)32-29-16-26(37-32)22-6-10-23(35-2)11-7-22/h4-11,16,25,29,33H,3,12-15,17-20H2,1-2H3
InChIKeyFFAOOTBFATZFLO-UHFFFAOYSA-N
XLogP3.61
TPSA86.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 127030070
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methyl]phenoxy]azetidin-1-yl]methanone
CID 71512275
[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42558104
1-[5-(hydroxymethyl)-9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxyethanone
CID 74233798
[4-ethyl-1-(furan-3-ylmethyl)piperidin-4-yl]methanol
CID 115883315
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
[4-carboxyoxy-1-[[4-[5-(6-methoxynaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidin-4-yl] hydrogen carbonate
CID 90450155
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015

Frequently Asked Questions

What is the IUPAC name of [3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone?
The IUPAC name of [3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone (CID 66656105) is [3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone.
What is the SMILES notation for [3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone?
The canonical SMILES for [3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone is CCC1(CO)CCN(Cc2ccc(OC3CN(C(=O)N4NC=C(c5ccc(OC)cc5)O4)C3)cc2)CC1.
What is the InChIKey of [3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone?
The InChIKey is FFAOOTBFATZFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O5/c1-3-28(20-33)12-14-30(15-13-28)17-21-4-8-24(9-5-21)36-25-18-31(19-25)27(34)32-29-16-26(37-32)22-6-10-23(35-2)11-7-22/h4-11,16,25,29,33H,3,12-15,17-20H2,1-2H3.
What are the key properties of [3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone?
[3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone has a molecular weight of 508.62 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-3H-oxadiazol-2-yl]methanone is sourced from PubChem (CID 66656105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).