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

C29H36N2O4 — CID 24955133

IUPAC3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide
SMILESCOCCOCc1ccc2ccc(C(C)N3CCC(NC(=O)c4cccc(OC)c4)CC3)cc2c1
InChIInChI=1S/C29H36N2O4/c1-21(24-10-9-23-8-7-22(17-26(23)18-24)20-35-16-15-33-2)31-13-11-27(12-14-31)30-29(32)25-5-4-6-28(19-25)34-3/h4-10,17-19,21,27H,11-16,20H2,1-3H3,(H,30,32)
InChIKeyIJMGYEDYVYHBSL-UHFFFAOYSA-N
MW476.62 g/mol
LogP4.97
Rot. Bonds10

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

3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide (PubChem CID 24955133) has the molecular formula C29H36N2O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is 3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide
PubChem CID24955133
Molecular FormulaC29H36N2O4
Molecular Weight476.62 g/mol
Exact Mass476.27
IUPAC Name3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide
SMILESCOCCOCc1ccc2ccc(C(C)N3CCC(NC(=O)c4cccc(OC)c4)CC3)cc2c1
InChIInChI=1S/C29H36N2O4/c1-21(24-10-9-23-8-7-22(17-26(23)18-24)20-35-16-15-33-2)31-13-11-27(12-14-31)30-29(32)25-5-4-6-28(19-25)34-3/h4-10,17-19,21,27H,11-16,20H2,1-3H3,(H,30,32)
InChIKeyIJMGYEDYVYHBSL-UHFFFAOYSA-N
XLogP4.97
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.97
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

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-[[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
N-[1-[(1R)-1-naphthalen-2-ylethyl]piperidin-4-yl]benzamide
CID 51966883
3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide
CID 68529595
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954776
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide (CID 24955133) is 3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide is COCCOCc1ccc2ccc(C(C)N3CCC(NC(=O)c4cccc(OC)c4)CC3)cc2c1.
What is the InChIKey of 3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide?
The InChIKey is IJMGYEDYVYHBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O4/c1-21(24-10-9-23-8-7-22(17-26(23)18-24)20-35-16-15-33-2)31-13-11-27(12-14-31)30-29(32)25-5-4-6-28(19-25)34-3/h4-10,17-19,21,27H,11-16,20H2,1-3H3,(H,30,32).
What are the key properties of 3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide?
3-methoxy-N-[1-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide has a molecular weight of 476.62 g/mol, XLogP of 4.97, 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-[1-[7-(2-methoxyethoxymethyl)naphthalen-2-yl]ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 24955133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).