(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide

C35H38N2O5 — CID 71484738

IUPAC(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide
SMILESNC(=O)[C@H]1N[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C35H38N2O5/c36-35(38)31-33(41-23-28-17-9-3-10-18-28)34(42-24-29-19-11-4-12-20-29)32(40-22-27-15-7-2-8-16-27)30(37-31)25-39-21-26-13-5-1-6-14-26/h1-20,30-34,37H,21-25H2,(H2,36,38)/t30-,31+,32-,33+,34+/m1/s1
InChIKeyMZGNWNUXIMMUEI-BBZHULIZSA-N
MW566.70 g/mol
LogP4.79
Rot. Bonds14

About (2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide

(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide (PubChem CID 71484738) has the molecular formula C35H38N2O5 and a molecular weight of 566.70 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide
PubChem CID71484738
Molecular FormulaC35H38N2O5
Molecular Weight566.70 g/mol
Exact Mass566.28
IUPAC Name(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide
SMILESNC(=O)[C@H]1N[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C35H38N2O5/c36-35(38)31-33(41-23-28-17-9-3-10-18-28)34(42-24-29-19-11-4-12-20-29)32(40-22-27-15-7-2-8-16-27)30(37-31)25-39-21-26-13-5-1-6-14-26/h1-20,30-34,37H,21-25H2,(H2,36,38)/t30-,31+,32-,33+,34+/m1/s1
InChIKeyMZGNWNUXIMMUEI-BBZHULIZSA-N
XLogP4.79
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.70
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4R,5R,6S)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine
CID 11215002
[(2R,3S,4R,5R,6R)-5-acetyloxy-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enylpiperidin-3-yl] acetate
CID 11202176
(3R,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 46783615
(2R,3R,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidin-3-ol
CID 46201680
N-[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-yl]acetamide
CID 15386580
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
2-[(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-yl]-4,5-difluorophenol
CID 71480522
2-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 138645338
(4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-2-one
CID 102444690
(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylic acid
CID 102396248
ethyl 3-[(2R,3R,4R,5R)-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-yl]propanoate
CID 11364389
3-(phenylmethoxymethyl)oxirane-2-carboxamide
CID 10130485

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide?
The IUPAC name of (2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide (CID 71484738) is (2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide is NC(=O)[C@H]1N[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide?
The InChIKey is MZGNWNUXIMMUEI-BBZHULIZSA-N. The full InChI is InChI=1S/C35H38N2O5/c36-35(38)31-33(41-23-28-17-9-3-10-18-28)34(42-24-29-19-11-4-12-20-29)32(40-22-27-15-7-2-8-16-27)30(37-31)25-39-21-26-13-5-1-6-14-26/h1-20,30-34,37H,21-25H2,(H2,36,38)/t30-,31+,32-,33+,34+/m1/s1.
What are the key properties of (2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide?
(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide has a molecular weight of 566.70 g/mol, XLogP of 4.79, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-carboxamide is sourced from PubChem (CID 71484738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).