[3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate

C29H34N2O5 — CID 68972696

IUPAC[3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate
SMILESCOCCOCc1ccc2ccc(CN3CCC(NC(=O)c4cccc(OC(C)=O)c4)CC3)cc2c1
InChIInChI=1S/C29H34N2O5/c1-21(32)36-28-5-3-4-25(18-28)29(33)30-27-10-12-31(13-11-27)19-22-6-8-24-9-7-23(17-26(24)16-22)20-35-15-14-34-2/h3-9,16-18,27H,10-15,19-20H2,1-2H3,(H,30,33)
InChIKeyCSPOWBXNLPMVTK-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.32
Rot. Bonds10

About [3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate

[3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate (PubChem CID 68972696) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is [3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate
PubChem CID68972696
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC Name[3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate
SMILESCOCCOCc1ccc2ccc(CN3CCC(NC(=O)c4cccc(OC(C)=O)c4)CC3)cc2c1
InChIInChI=1S/C29H34N2O5/c1-21(32)36-28-5-3-4-25(18-28)29(33)30-27-10-12-31(13-11-27)19-22-6-8-24-9-7-23(17-26(24)16-22)20-35-15-14-34-2/h3-9,16-18,27H,10-15,19-20H2,1-2H3,(H,30,33)
InChIKeyCSPOWBXNLPMVTK-UHFFFAOYSA-N
XLogP4.32
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate with MolForge

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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-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 24954046
N-[1-[[7-(2-hydroxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24952293
3-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzene-1,3-dicarboxamide
CID 68529595
N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24951571
3-methoxy-N-[1-[[7-[2-(2-methoxyethoxy)ethoxy]naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954774
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
tert-butyl N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamate
CID 90836588
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
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-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate (CID 68972696) is [3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate is COCCOCc1ccc2ccc(CN3CCC(NC(=O)c4cccc(OC(C)=O)c4)CC3)cc2c1.
What is the InChIKey of [3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate?
The InChIKey is CSPOWBXNLPMVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-21(32)36-28-5-3-4-25(18-28)29(33)30-27-10-12-31(13-11-27)19-22-6-8-24-9-7-23(17-26(24)16-22)20-35-15-14-34-2/h3-9,16-18,27H,10-15,19-20H2,1-2H3,(H,30,33).
What are the key properties of [3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate?
[3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate has a molecular weight of 490.60 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 68972696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).