4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide

C32H34N2O4 — CID 91116090

IUPAC4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide
SMILESCOc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(Cc3ccc(C(N)=O)cc3)ccc2c1
InChIInChI=1S/C32H34N2O4/c1-36-29-15-16-30-25(22-29)9-10-26(21-23-5-7-24(8-6-23)32(33)35)31(30)38-28-13-11-27(12-14-28)37-20-19-34-17-3-2-4-18-34/h5-16,22H,2-4,17-21H2,1H3,(H2,33,35)
InChIKeyDHLWGSNPCACBBE-UHFFFAOYSA-N
MW510.63 g/mol
LogP6.20
Rot. Bonds10

About 4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide

4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide (PubChem CID 91116090) has the molecular formula C32H34N2O4 and a molecular weight of 510.63 g/mol. Its IUPAC name is 4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide
PubChem CID91116090
Molecular FormulaC32H34N2O4
Molecular Weight510.63 g/mol
Exact Mass510.25
IUPAC Name4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide
SMILESCOc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(Cc3ccc(C(N)=O)cc3)ccc2c1
InChIInChI=1S/C32H34N2O4/c1-36-29-15-16-30-25(22-29)9-10-26(21-23-5-7-24(8-6-23)32(33)35)31(30)38-28-13-11-27(12-14-28)37-20-19-34-17-3-2-4-18-34/h5-16,22H,2-4,17-21H2,1H3,(H2,33,35)
InChIKeyDHLWGSNPCACBBE-UHFFFAOYSA-N
XLogP6.20
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide with MolForge

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Related Compounds

5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-2-carboxamide
CID 58338549
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58691217
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 30737845
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
1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68514257
1-[2-[4-[6-methoxy-2-(3-methylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58338581
1-[2-[4-[2-(4-ethylsulfonylphenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68518332
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-methoxyphenoxy)ethyl]azepane
CID 888209

Frequently Asked Questions

What is the IUPAC name of 4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide?
The IUPAC name of 4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide (CID 91116090) is 4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide?
The canonical SMILES for 4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide is COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(Cc3ccc(C(N)=O)cc3)ccc2c1.
What is the InChIKey of 4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide?
The InChIKey is DHLWGSNPCACBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O4/c1-36-29-15-16-30-25(22-29)9-10-26(21-23-5-7-24(8-6-23)32(33)35)31(30)38-28-13-11-27(12-14-28)37-20-19-34-17-3-2-4-18-34/h5-16,22H,2-4,17-21H2,1H3,(H2,33,35).
What are the key properties of 4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide?
4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide has a molecular weight of 510.63 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]methyl]benzamide is sourced from PubChem (CID 91116090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).