3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide

C29H36N2O5 — CID 24954774

IUPAC3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
SMILESCOCCOCCOc1ccc2ccc(CN3CCC(NC(=O)c4cccc(OC)c4)CC3)cc2c1
InChIInChI=1S/C29H36N2O5/c1-33-14-15-35-16-17-36-28-9-8-23-7-6-22(18-25(23)20-28)21-31-12-10-26(11-13-31)30-29(32)24-4-3-5-27(19-24)34-2/h3-9,18-20,26H,10-17,21H2,1-2H3,(H,30,32)
InChIKeyJHKSKOQHBMPZLZ-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.28
Rot. Bonds12

About 3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide

3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 24954774) has the molecular formula C29H36N2O5 and a molecular weight of 492.62 g/mol. Its IUPAC name is 3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
PubChem CID24954774
Molecular FormulaC29H36N2O5
Molecular Weight492.62 g/mol
Exact Mass492.26
IUPAC Name3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
SMILESCOCCOCCOc1ccc2ccc(CN3CCC(NC(=O)c4cccc(OC)c4)CC3)cc2c1
InChIInChI=1S/C29H36N2O5/c1-33-14-15-35-16-17-36-28-9-8-23-7-6-22(18-25(23)20-28)21-31-12-10-26(11-13-31)30-29(32)24-4-3-5-27(19-24)34-2/h3-9,18-20,26H,10-17,21H2,1-2H3,(H,30,32)
InChIKeyJHKSKOQHBMPZLZ-UHFFFAOYSA-N
XLogP4.28
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide
CID 68524871
N-[1-[[7-(2-hydroxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24952293
3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954776
N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24951571
[3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 68972696
N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 24954046
3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide
CID 68529595
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide
CID 24955133
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-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide (CID 24954774) is 3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide is COCCOCCOc1ccc2ccc(CN3CCC(NC(=O)c4cccc(OC)c4)CC3)cc2c1.
What is the InChIKey of 3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is JHKSKOQHBMPZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O5/c1-33-14-15-35-16-17-36-28-9-8-23-7-6-22(18-25(23)20-28)21-31-12-10-26(11-13-31)30-29(32)24-4-3-5-27(19-24)34-2/h3-9,18-20,26H,10-17,21H2,1-2H3,(H,30,32).
What are the key properties of 3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 492.62 g/mol, XLogP of 4.28, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 24954774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).