tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate

C40H68N4O8 — CID 155075585

IUPACtetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
SMILESCC(C)(OC(=O)C1C(C(=O)OC(C)(C)C2CCNCC2)C(C(=O)OC(C)(C)C2CCNCC2)C1C(=O)OC(C)(C)C1CCNCC1)C1CCNCC1
InChIInChI=1S/C40H68N4O8/c1-37(2,25-9-17-41-18-10-25)49-33(45)29-30(34(46)50-38(3,4)26-11-19-42-20-12-26)32(36(48)52-40(7,8)28-15-23-44-24-16-28)31(29)35(47)51-39(5,6)27-13-21-43-22-14-27/h25-32,41-44H,9-24H2,1-8H3
InChIKeyUGYNLFHMSCUJQW-UHFFFAOYSA-N
MW733.00 g/mol
LogP3.75
Rot. Bonds12

About tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate

tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate (PubChem CID 155075585) has the molecular formula C40H68N4O8 and a molecular weight of 733.00 g/mol. Its IUPAC name is tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
PubChem CID155075585
Molecular FormulaC40H68N4O8
Molecular Weight733.00 g/mol
Exact Mass732.50
IUPAC Nametetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
SMILESCC(C)(OC(=O)C1C(C(=O)OC(C)(C)C2CCNCC2)C(C(=O)OC(C)(C)C2CCNCC2)C1C(=O)OC(C)(C)C1CCNCC1)C1CCNCC1
InChIInChI=1S/C40H68N4O8/c1-37(2,25-9-17-41-18-10-25)49-33(45)29-30(34(46)50-38(3,4)26-11-19-42-20-12-26)32(36(48)52-40(7,8)28-15-23-44-24-16-28)31(29)35(47)51-39(5,6)27-13-21-43-22-14-27/h25-32,41-44H,9-24H2,1-8H3
InChIKeyUGYNLFHMSCUJQW-UHFFFAOYSA-N
XLogP3.75
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.00
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate
CID 155075621
bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,2-dicarboxylate
CID 155076100
2-piperidin-4-ylpropan-2-yl propanoate
CID 155605403
2-piperidin-4-ylpropan-2-yl 2,2,2-tribromoacetate
CID 155605248
2-piperidin-4-ylpropan-2-yl 3-methylbut-2-enoate
CID 155075946
2-piperidin-4-ylpropan-2-yl 2-sulfanylacetate
CID 168757919
2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate
CID 155075516
2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate
CID 157326852
2-piperidin-4-ylpropan-2-yl 3-[3-oxo-3-(2-piperidin-4-ylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 155075563
2-piperidin-4-ylpropan-2-yl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 155075688
bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
CID 155075566
1-O-tert-butyl 12-O-(2-piperidin-4-ylpropan-2-yl) dodecanedioate
CID 155075819

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate?
The IUPAC name of tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate (CID 155075585) is tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate is CC(C)(OC(=O)C1C(C(=O)OC(C)(C)C2CCNCC2)C(C(=O)OC(C)(C)C2CCNCC2)C1C(=O)OC(C)(C)C1CCNCC1)C1CCNCC1.
What is the InChIKey of tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate?
The InChIKey is UGYNLFHMSCUJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H68N4O8/c1-37(2,25-9-17-41-18-10-25)49-33(45)29-30(34(46)50-38(3,4)26-11-19-42-20-12-26)32(36(48)52-40(7,8)28-15-23-44-24-16-28)31(29)35(47)51-39(5,6)27-13-21-43-22-14-27/h25-32,41-44H,9-24H2,1-8H3.
What are the key properties of tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate?
tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate has a molecular weight of 733.00 g/mol, XLogP of 3.75, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 155075585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).