ethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate

C43H68N6O9 — CID 100993634

IUPACethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CCCN(C(=O)[C@H]4CCCN(C(=O)[C@H]5CCCN(C(=O)[C@H]6CCCN(C(=O)OC(C)(C)C)C6)C5)C4)C3)C2)C1
InChIInChI=1S/C43H68N6O9/c1-5-57-41(55)35-17-11-22-48(29-35)39(53)33-15-9-20-46(27-33)37(51)31-13-7-18-44(25-31)36(50)30-12-6-19-45(24-30)38(52)32-14-8-21-47(26-32)40(54)34-16-10-23-49(28-34)42(56)58-43(2,3)4/h30-35H,5-29H2,1-4H3/t30-,31-,32-,33-,34-,35-/m0/s1
InChIKeyODKVNEFBWQETCI-LBBUGJAGSA-N
MW813.05 g/mol
LogP3.39
Rot. Bonds7

About ethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate

ethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 100993634) has the molecular formula C43H68N6O9 and a molecular weight of 813.05 g/mol. Its IUPAC name is ethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate
PubChem CID100993634
Molecular FormulaC43H68N6O9
Molecular Weight813.05 g/mol
Exact Mass812.50
IUPAC Nameethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CCCN(C(=O)[C@H]4CCCN(C(=O)[C@H]5CCCN(C(=O)[C@H]6CCCN(C(=O)OC(C)(C)C)C6)C5)C4)C3)C2)C1
InChIInChI=1S/C43H68N6O9/c1-5-57-41(55)35-17-11-22-48(29-35)39(53)33-15-9-20-46(27-33)37(51)31-13-7-18-44(25-31)36(50)30-12-6-19-45(24-30)38(52)32-14-8-21-47(26-32)40(54)34-16-10-23-49(28-34)42(56)58-43(2,3)4/h30-35H,5-29H2,1-4H3/t30-,31-,32-,33-,34-,35-/m0/s1
InChIKeyODKVNEFBWQETCI-LBBUGJAGSA-N
XLogP3.39
TPSA157.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500813.05
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate
CID 53654070
tert-butyl (3R)-3-formylpiperidine-1-carboxylate;1-O-tert-butyl 3-O-methyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3S)-3-(piperidin-1-ylmethyl)piperidine-1-carboxylate;1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 160116926
CID 160891445
CID 160891445
acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate
CID 160933114
acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;(3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate
CID 161602394
Ethyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate
CID 20614143
ethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate
CID 94549769
ethyl (3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate
CID 100993647

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate (CID 100993634) is ethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CCCN(C(=O)[C@H]4CCCN(C(=O)[C@H]5CCCN(C(=O)[C@H]6CCCN(C(=O)OC(C)(C)C)C6)C5)C4)C3)C2)C1.
What is the InChIKey of ethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is ODKVNEFBWQETCI-LBBUGJAGSA-N. The full InChI is InChI=1S/C43H68N6O9/c1-5-57-41(55)35-17-11-22-48(29-35)39(53)33-15-9-20-46(27-33)37(51)31-13-7-18-44(25-31)36(50)30-12-6-19-45(24-30)38(52)32-14-8-21-47(26-32)40(54)34-16-10-23-49(28-34)42(56)58-43(2,3)4/h30-35H,5-29H2,1-4H3/t30-,31-,32-,33-,34-,35-/m0/s1.
What are the key properties of ethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate?
ethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 813.05 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 100993634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).