ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate

C29H41NO3 — CID 77466388

IUPACethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc3cc(OC4CC(C)CCC4C(C)C)ccc3c2)CC1
InChIInChI=1S/C29H41NO3/c1-5-32-29(31)23-12-14-30(15-13-23)19-22-7-8-25-18-26(10-9-24(25)17-22)33-28-16-21(4)6-11-27(28)20(2)3/h7-10,17-18,20-21,23,27-28H,5-6,11-16,19H2,1-4H3
InChIKeyOEGOHZQZWPPMOH-UHFFFAOYSA-N
MW451.65 g/mol
LogP6.45
Rot. Bonds7

About ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate (PubChem CID 77466388) has the molecular formula C29H41NO3 and a molecular weight of 451.65 g/mol. Its IUPAC name is ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
PubChem CID77466388
Molecular FormulaC29H41NO3
Molecular Weight451.65 g/mol
Exact Mass451.31
IUPAC Nameethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc3cc(OC4CC(C)CCC4C(C)C)ccc3c2)CC1
InChIInChI=1S/C29H41NO3/c1-5-32-29(31)23-12-14-30(15-13-23)19-22-7-8-25-18-26(10-9-24(25)17-22)33-28-16-21(4)6-11-27(28)20(2)3/h7-10,17-18,20-21,23,27-28H,5-6,11-16,19H2,1-4H3
InChIKeyOEGOHZQZWPPMOH-UHFFFAOYSA-N
XLogP6.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.65
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-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-[3-[1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carbonyl]oxycyclobutyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 146183463
1-[[6-[(1R,2S,5R)-5-ethyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylic acid
CID 150566284
ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 146183495
[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-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate
CID 146183475
ethyl 1-[[4-(4-butoxyphenyl)sulfonyl-3-methoxyphenyl]methyl]piperidine-4-carboxylate
CID 70083021
ethyl 1-[(4-hydroxy-3-nitrophenyl)methyl]piperidine-4-carboxylate
CID 6456240
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid
CID 23724214

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate (CID 77466388) is ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccc3cc(OC4CC(C)CCC4C(C)C)ccc3c2)CC1.
What is the InChIKey of ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate?
The InChIKey is OEGOHZQZWPPMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO3/c1-5-32-29(31)23-12-14-30(15-13-23)19-22-7-8-25-18-26(10-9-24(25)17-22)33-28-16-21(4)6-11-27(28)20(2)3/h7-10,17-18,20-21,23,27-28H,5-6,11-16,19H2,1-4H3.
What are the key properties of ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate has a molecular weight of 451.65 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 77466388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).