3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole

C22H25N3O3 — CID 77087033

IUPAC3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
SMILESCOc1cc(OCc2ccccc2)ccc1CN1CCC(c2ncon2)CC1
InChIInChI=1S/C22H25N3O3/c1-26-21-13-20(27-15-17-5-3-2-4-6-17)8-7-19(21)14-25-11-9-18(10-12-25)22-23-16-28-24-22/h2-8,13,16,18H,9-12,14-15H2,1H3
InChIKeyNBZRWVDFZOQFHP-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.04
Rot. Bonds7

About 3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole

3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 77087033) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID77087033
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
SMILESCOc1cc(OCc2ccccc2)ccc1CN1CCC(c2ncon2)CC1
InChIInChI=1S/C22H25N3O3/c1-26-21-13-20(27-15-17-5-3-2-4-6-17)8-7-19(21)14-25-11-9-18(10-12-25)22-23-16-28-24-22/h2-8,13,16,18H,9-12,14-15H2,1H3
InChIKeyNBZRWVDFZOQFHP-UHFFFAOYSA-N
XLogP4.04
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 39331813
[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]azetidin-3-yl]methanediol
CID 91478879
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
3-[1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-1,2,4-oxadiazole
CID 74240465
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
(3R)-1-[(2-bromo-4-phenylmethoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647748
2-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138387630
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
(2R)-1-morpholin-4-yl-3-[3-[[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]phenoxy]propan-2-ol
CID 97278253
(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
CID 68757706

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole (CID 77087033) is 3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole is COc1cc(OCc2ccccc2)ccc1CN1CCC(c2ncon2)CC1.
What is the InChIKey of 3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is NBZRWVDFZOQFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-26-21-13-20(27-15-17-5-3-2-4-6-17)8-7-19(21)14-25-11-9-18(10-12-25)22-23-16-28-24-22/h2-8,13,16,18H,9-12,14-15H2,1H3.
What are the key properties of 3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole?
3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 379.46 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 77087033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).