methyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate

C25H48N4O4 — CID 19385945

IUPACmethyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
SMILESCOC(=O)N(CCCN(C(=O)OC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H48N4O4/c1-22(2)14-18(15-23(3,4)26-22)28(20(30)32-9)12-11-13-29(21(31)33-10)19-16-24(5,6)27-25(7,8)17-19/h18-19,26-27H,11-17H2,1-10H3
InChIKeyKXPPNQMIUMEVNF-UHFFFAOYSA-N
MW468.68 g/mol
LogP4.13
Rot. Bonds6

About methyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate

methyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate (PubChem CID 19385945) has the molecular formula C25H48N4O4 and a molecular weight of 468.68 g/mol. Its IUPAC name is methyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
PubChem CID19385945
Molecular FormulaC25H48N4O4
Molecular Weight468.68 g/mol
Exact Mass468.37
IUPAC Namemethyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
SMILESCOC(=O)N(CCCN(C(=O)OC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H48N4O4/c1-22(2)14-18(15-23(3,4)26-22)28(20(30)32-9)12-11-13-29(21(31)33-10)19-16-24(5,6)27-25(7,8)17-19/h18-19,26-27H,11-17H2,1-10H3
InChIKeyKXPPNQMIUMEVNF-UHFFFAOYSA-N
XLogP4.13
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.68
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
The IUPAC name of methyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate (CID 19385945) is methyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate.
What is the SMILES notation for methyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
The canonical SMILES for methyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate is COC(=O)N(CCCN(C(=O)OC)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of methyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
The InChIKey is KXPPNQMIUMEVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N4O4/c1-22(2)14-18(15-23(3,4)26-22)28(20(30)32-9)12-11-13-29(21(31)33-10)19-16-24(5,6)27-25(7,8)17-19/h18-19,26-27H,11-17H2,1-10H3.
What are the key properties of methyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate?
methyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate has a molecular weight of 468.68 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[methoxycarbonyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate is sourced from PubChem (CID 19385945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).