ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate

C26H33NO3 — CID 146183495

IUPACethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc3cc(OC4CC5CCC4C5)ccc3c2)CC1
InChIInChI=1S/C26H33NO3/c1-2-29-26(28)20-9-11-27(12-10-20)17-19-4-5-22-16-24(8-7-21(22)14-19)30-25-15-18-3-6-23(25)13-18/h4-5,7-8,14,16,18,20,23,25H,2-3,6,9-13,15,17H2,1H3
InChIKeyCWCFVPFWFZFRJS-UHFFFAOYSA-N
MW407.55 g/mol
LogP5.18
Rot. Bonds6

About ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate (PubChem CID 146183495) has the molecular formula C26H33NO3 and a molecular weight of 407.55 g/mol. Its IUPAC name is ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate
PubChem CID146183495
Molecular FormulaC26H33NO3
Molecular Weight407.55 g/mol
Exact Mass407.25
IUPAC Nameethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc3cc(OC4CC5CCC4C5)ccc3c2)CC1
InChIInChI=1S/C26H33NO3/c1-2-29-26(28)20-9-11-27(12-10-20)17-19-4-5-22-16-24(8-7-21(22)14-19)30-25-15-18-3-6-23(25)13-18/h4-5,7-8,14,16,18,20,23,25H,2-3,6,9-13,15,17H2,1H3
InChIKeyCWCFVPFWFZFRJS-UHFFFAOYSA-N
XLogP5.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.55
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 118347020
ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 77466388
ethyl 1-[[6-[3-[1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carbonyl]oxycyclobutyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 146183463
[6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium
CID 140661185
1-[[6-(4,4-dimethylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylic acid;ethyl 1-[[6-(4,4-dimethylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 158328113
lithium;ethyl 1-[[6-(4-phenylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate;1-[[6-(4-phenylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylic acid;hydroxide
CID 159998730
ethyl 1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8772894
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid
CID 23724214
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
1-[[6-[(1R,2S,5R)-5-ethyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylic acid
CID 150566284
ethyl (3R)-1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-3-carboxylate
CID 66926766

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate (CID 146183495) is ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccc3cc(OC4CC5CCC4C5)ccc3c2)CC1.
What is the InChIKey of ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate?
The InChIKey is CWCFVPFWFZFRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO3/c1-2-29-26(28)20-9-11-27(12-10-20)17-19-4-5-22-16-24(8-7-21(22)14-19)30-25-15-18-3-6-23(25)13-18/h4-5,7-8,14,16,18,20,23,25H,2-3,6,9-13,15,17H2,1H3.
What are the key properties of ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate has a molecular weight of 407.55 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 146183495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).