methyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate

C34H51N3O4 — CID 139052130

IUPACmethyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate
SMILESCOC(=O)N(c1ccccc1CON1C(C)(C)CCCC1(C)C)[C@@H](ON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C34H51N3O4/c1-31(2)21-15-22-32(3,4)36(31)40-25-27-19-13-14-20-28(27)35(30(38)39-9)29(26-17-11-10-12-18-26)41-37-33(5,6)23-16-24-34(37,7)8/h10-14,17-20,29H,15-16,21-25H2,1-9H3/t29-/m0/s1
InChIKeyPDWWLMMLZHIKEX-LJAQVGFWSA-N
MW565.80 g/mol
LogP8.41
Rot. Bonds8

About methyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate

methyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate (PubChem CID 139052130) has the molecular formula C34H51N3O4 and a molecular weight of 565.80 g/mol. Its IUPAC name is methyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate
PubChem CID139052130
Molecular FormulaC34H51N3O4
Molecular Weight565.80 g/mol
Exact Mass565.39
IUPAC Namemethyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate
SMILESCOC(=O)N(c1ccccc1CON1C(C)(C)CCCC1(C)C)[C@@H](ON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C34H51N3O4/c1-31(2)21-15-22-32(3,4)36(31)40-25-27-19-13-14-20-28(27)35(30(38)39-9)29(26-17-11-10-12-18-26)41-37-33(5,6)23-16-24-34(37,7)8/h10-14,17-20,29H,15-16,21-25H2,1-9H3/t29-/m0/s1
InChIKeyPDWWLMMLZHIKEX-LJAQVGFWSA-N
XLogP8.41
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.80
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141
[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methanol
CID 142744550
methoxymethane;2,2,6,6-tetramethyl-1-phenylmethoxypiperidine
CID 142146292
methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 13213172
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 71329524
N-ethyl-3-oxo-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanamide
CID 122388240
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
CID 12997351
methyl (3S,4S)-1-[(1R)-1-phenylethyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidine-3-carboxylate
CID 102165692
chloroethane;2,2,6,6-tetramethyl-1-(1-phenylbutoxy)piperidine
CID 91166169
[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] 3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropanoate
CID 101364279
methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 102140721
2-phenyl-2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxyamino]ethanol
CID 143114964

Frequently Asked Questions

What is the IUPAC name of methyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate?
The IUPAC name of methyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate (CID 139052130) is methyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate?
The canonical SMILES for methyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate is COC(=O)N(c1ccccc1CON1C(C)(C)CCCC1(C)C)[C@@H](ON1C(C)(C)CCCC1(C)C)c1ccccc1.
What is the InChIKey of methyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate?
The InChIKey is PDWWLMMLZHIKEX-LJAQVGFWSA-N. The full InChI is InChI=1S/C34H51N3O4/c1-31(2)21-15-22-32(3,4)36(31)40-25-27-19-13-14-20-28(27)35(30(38)39-9)29(26-17-11-10-12-18-26)41-37-33(5,6)23-16-24-34(37,7)8/h10-14,17-20,29H,15-16,21-25H2,1-9H3/t29-/m0/s1.
What are the key properties of methyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate?
methyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate has a molecular weight of 565.80 g/mol, XLogP of 8.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(S)-phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-N-[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]carbamate is sourced from PubChem (CID 139052130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).