3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide

C28H35BrN2O4 — CID 68524871

IUPAC3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide
SMILESBr.COCCOCc1ccc2ccc(CN3CCC(NC(=O)c4cccc(OC)c4)CC3)cc2c1
InChIInChI=1S/C28H34N2O4.BrH/c1-32-14-15-34-20-22-7-9-23-8-6-21(16-25(23)17-22)19-30-12-10-26(11-13-30)29-28(31)24-4-3-5-27(18-24)33-2;/h3-9,16-18,26H,10-15,19-20H2,1-2H3,(H,29,31);1H
InChIKeyQQYLDHXDJBTOQB-UHFFFAOYSA-N
MW543.50 g/mol
LogP4.98
Rot. Bonds10

About 3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide

3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide (PubChem CID 68524871) has the molecular formula C28H35BrN2O4 and a molecular weight of 543.50 g/mol. Its IUPAC name is 3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide.

Molecular Properties

Compound Name3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide
PubChem CID68524871
Molecular FormulaC28H35BrN2O4
Molecular Weight543.50 g/mol
Exact Mass542.18
IUPAC Name3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide
SMILESBr.COCCOCc1ccc2ccc(CN3CCC(NC(=O)c4cccc(OC)c4)CC3)cc2c1
InChIInChI=1S/C28H34N2O4.BrH/c1-32-14-15-34-20-22-7-9-23-8-6-21(16-25(23)17-22)19-30-12-10-26(11-13-30)29-28(31)24-4-3-5-27(18-24)33-2;/h3-9,16-18,26H,10-15,19-20H2,1-2H3,(H,29,31);1H
InChIKeyQQYLDHXDJBTOQB-UHFFFAOYSA-N
XLogP4.98
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[[7-(2-hydroxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24952293
[3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 68972696
N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24951571
N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 24954046
3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954774
3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide
CID 68529595
3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954776
3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide
CID 24955133
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate
CID 90836588
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide?
The IUPAC name of 3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide (CID 68524871) is 3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide.
What is the SMILES notation for 3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide?
The canonical SMILES for 3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide is Br.COCCOCc1ccc2ccc(CN3CCC(NC(=O)c4cccc(OC)c4)CC3)cc2c1.
What is the InChIKey of 3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide?
The InChIKey is QQYLDHXDJBTOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4.BrH/c1-32-14-15-34-20-22-7-9-23-8-6-21(16-25(23)17-22)19-30-12-10-26(11-13-30)29-28(31)24-4-3-5-27(18-24)33-2;/h3-9,16-18,26H,10-15,19-20H2,1-2H3,(H,29,31);1H.
What are the key properties of 3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide?
3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide has a molecular weight of 543.50 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide is sourced from PubChem (CID 68524871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).