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

C49H62N2O6 — CID 146183463

IUPACethyl 1-[[6-[3-[1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carbonyl]oxycyclobutyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc3cc(OC4CC(OC(=O)C5CCN(Cc6ccc7cc(OC8CCC(C(C)C)CC8)ccc7c6)CC5)C4)ccc3c2)CC1
InChIInChI=1S/C49H62N2O6/c1-4-54-48(52)37-17-21-50(22-18-37)31-34-6-8-42-28-45(16-12-40(42)26-34)56-46-29-47(30-46)57-49(53)38-19-23-51(24-20-38)32-35-5-7-41-27-44(15-11-39(41)25-35)55-43-13-9-36(10-14-43)33(2)3/h5-8,11-12,15-16,25-28,33,36-38,43,46-47H,4,9-10,13-14,17-24,29-32H2,1-3H3
InChIKeyUMHDOJHTBWVOQG-UHFFFAOYSA-N
MW775.04 g/mol
LogP9.73
Rot. Bonds13

About 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

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 (PubChem CID 146183463) has the molecular formula C49H62N2O6 and a molecular weight of 775.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 1-[[6-[3-[1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carbonyl]oxycyclobutyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
PubChem CID146183463
Molecular FormulaC49H62N2O6
Molecular Weight775.04 g/mol
Exact Mass774.46
IUPAC Nameethyl 1-[[6-[3-[1-[[6-(4-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carbonyl]oxycyclobutyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc3cc(OC4CC(OC(=O)C5CCN(Cc6ccc7cc(OC8CCC(C(C)C)CC8)ccc7c6)CC5)C4)ccc3c2)CC1
InChIInChI=1S/C49H62N2O6/c1-4-54-48(52)37-17-21-50(22-18-37)31-34-6-8-42-28-45(16-12-40(42)26-34)56-46-29-47(30-46)57-49(53)38-19-23-51(24-20-38)32-35-5-7-41-27-44(15-11-39(41)25-35)55-43-13-9-36(10-14-43)33(2)3/h5-8,11-12,15-16,25-28,33,36-38,43,46-47H,4,9-10,13-14,17-24,29-32H2,1-3H3
InChIKeyUMHDOJHTBWVOQG-UHFFFAOYSA-N
XLogP9.73
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.04
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

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
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
ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 146183495
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
[6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium
CID 140661185
ethyl (3R)-1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-3-carboxylate
CID 66926766
1-[[6-[(1R,2S,5R)-5-ethyl-2-propan-2-ylcyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylic acid
CID 150566284
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
ethyl 1-[[5-(difluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 118340415
ethane;ethyl 1-[[5-methyl-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 144562321
1-[[6-(4-ethylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-methylpiperidine
CID 126757457

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)C1CCN(Cc2ccc3cc(OC4CC(OC(=O)C5CCN(Cc6ccc7cc(OC8CCC(C(C)C)CC8)ccc7c6)CC5)C4)ccc3c2)CC1.
What is the InChIKey of 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?
The InChIKey is UMHDOJHTBWVOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H62N2O6/c1-4-54-48(52)37-17-21-50(22-18-37)31-34-6-8-42-28-45(16-12-40(42)26-34)56-46-29-47(30-46)57-49(53)38-19-23-51(24-20-38)32-35-5-7-41-27-44(15-11-39(41)25-35)55-43-13-9-36(10-14-43)33(2)3/h5-8,11-12,15-16,25-28,33,36-38,43,46-47H,4,9-10,13-14,17-24,29-32H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 775.04 g/mol, XLogP of 9.73, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146183463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).