1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine

C29H31NO5S2 — CID 58338562

IUPAC1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
SMILESCOc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(S(C)(=O)=O)s3)ccc2c1
InChIInChI=1S/C29H31NO5S2/c1-33-24-11-13-25-21(20-24)6-12-26(27-14-15-28(36-27)37(2,31)32)29(25)35-23-9-7-22(8-10-23)34-19-18-30-16-4-3-5-17-30/h6-15,20H,3-5,16-19H2,1-2H3
InChIKeyQBAKREHNLJRRPL-UHFFFAOYSA-N
MW537.70 g/mol
LogP6.64
Rot. Bonds9

About 1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine

1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine (PubChem CID 58338562) has the molecular formula C29H31NO5S2 and a molecular weight of 537.70 g/mol. Its IUPAC name is 1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
PubChem CID58338562
Molecular FormulaC29H31NO5S2
Molecular Weight537.70 g/mol
Exact Mass537.16
IUPAC Name1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
SMILESCOc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(S(C)(=O)=O)s3)ccc2c1
InChIInChI=1S/C29H31NO5S2/c1-33-24-11-13-25-21(20-24)6-12-26(27-14-15-28(36-27)37(2,31)32)29(25)35-23-9-7-22(8-10-23)34-19-18-30-16-4-3-5-17-30/h6-15,20H,3-5,16-19H2,1-2H3
InChIKeyQBAKREHNLJRRPL-UHFFFAOYSA-N
XLogP6.64
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide
CID 58338549
1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68514257
1-[2-[4-[2-(4-ethylsulfonylphenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68518332
1-[2-[4-[6-methoxy-2-(3-methylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58338581
1-[2-[4-[2-(2,6-difluorophenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 11340786
4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile
CID 58338572
5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide
CID 59751453
1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58691217
1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68515082
4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3,6-dihydro-2H-thiopyran 1,1-dioxide
CID 58834554
3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzonitrile
CID 69436639
5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one
CID 69440011

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine (CID 58338562) is 1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine is COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(S(C)(=O)=O)s3)ccc2c1.
What is the InChIKey of 1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
The InChIKey is QBAKREHNLJRRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO5S2/c1-33-24-11-13-25-21(20-24)6-12-26(27-14-15-28(36-27)37(2,31)32)29(25)35-23-9-7-22(8-10-23)34-19-18-30-16-4-3-5-17-30/h6-15,20H,3-5,16-19H2,1-2H3.
What are the key properties of 1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine has a molecular weight of 537.70 g/mol, XLogP of 6.64, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[6-methoxy-2-(5-methylsulfonylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine is sourced from PubChem (CID 58338562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).