5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C34H35N3O6 — CID 22128538

IUPAC5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(COc2ccc(C3CCNCC3OCc3cc(OC)c4ccccc4c3OC)cc2)n1
InChIInChI=1S/C34H35N3O6/c1-38-29-11-7-6-10-28(29)34-36-32(43-37-34)21-41-24-14-12-22(13-15-24)25-16-17-35-19-31(25)42-20-23-18-30(39-2)26-8-4-5-9-27(26)33(23)40-3/h4-15,18,25,31,35H,16-17,19-21H2,1-3H3
InChIKeyNOTXKJWNXSQSHV-UHFFFAOYSA-N
MW581.67 g/mol
LogP6.16
Rot. Bonds11

About 5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 22128538) has the molecular formula C34H35N3O6 and a molecular weight of 581.67 g/mol. Its IUPAC name is 5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID22128538
Molecular FormulaC34H35N3O6
Molecular Weight581.67 g/mol
Exact Mass581.25
IUPAC Name5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(COc2ccc(C3CCNCC3OCc3cc(OC)c4ccccc4c3OC)cc2)n1
InChIInChI=1S/C34H35N3O6/c1-38-29-11-7-6-10-28(29)34-36-32(43-37-34)21-41-24-14-12-22(13-15-24)25-16-17-35-19-31(25)42-20-23-18-30(39-2)26-8-4-5-9-27(26)33(23)40-3/h4-15,18,25,31,35H,16-17,19-21H2,1-3H3
InChIKeyNOTXKJWNXSQSHV-UHFFFAOYSA-N
XLogP6.16
TPSA97.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.67
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 22127067
(3R,4R)-3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 10483146
3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 22127679
3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[(E)-4-phenylbut-3-enoxy]phenyl]piperidine
CID 22126696
5-[[4-[(3S,4S)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]methyl]-3-phenyl-1,2,4-oxadiazole
CID 100967458
3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine
CID 22128513
5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355907
5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953
4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
CID 142663964
3-[[3-methoxy-2-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 68505630
5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9353996
methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen
CID 145126257

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 22128538) is 5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(COc2ccc(C3CCNCC3OCc3cc(OC)c4ccccc4c3OC)cc2)n1.
What is the InChIKey of 5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is NOTXKJWNXSQSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O6/c1-38-29-11-7-6-10-28(29)34-36-32(43-37-34)21-41-24-14-12-22(13-15-24)25-16-17-35-19-31(25)42-20-23-18-30(39-2)26-8-4-5-9-27(26)33(23)40-3/h4-15,18,25,31,35H,16-17,19-21H2,1-3H3.
What are the key properties of 5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 581.67 g/mol, XLogP of 6.16, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidin-4-yl]phenoxy]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 22128538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).