N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide

C21H32N2O4 — CID 46982810

IUPACN-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(C(=O)COc2c(C)ccc(C)c2C)CC1
InChIInChI=1S/C21H32N2O4/c1-14-6-7-15(2)20(17(14)4)27-13-19(24)23-10-8-18(9-11-23)21(25)22-16(3)12-26-5/h6-7,16,18H,8-13H2,1-5H3,(H,22,25)
InChIKeyPHQVOJUCYQWDTN-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.38
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide

N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 46982810) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide
PubChem CID46982810
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(C(=O)COc2c(C)ccc(C)c2C)CC1
InChIInChI=1S/C21H32N2O4/c1-14-6-7-15(2)20(17(14)4)27-13-19(24)23-10-8-18(9-11-23)21(25)22-16(3)12-26-5/h6-7,16,18H,8-13H2,1-5H3,(H,22,25)
InChIKeyPHQVOJUCYQWDTN-UHFFFAOYSA-N
XLogP2.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108558496
2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565236
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119221159
N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide
CID 167004447
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003233
N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553275
4-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565225
2-(4-chlorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108565232
2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 62018700
2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39363116

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide (CID 46982810) is N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide is COCC(C)NC(=O)C1CCN(C(=O)COc2c(C)ccc(C)c2C)CC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is PHQVOJUCYQWDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-14-6-7-15(2)20(17(14)4)27-13-19(24)23-10-8-18(9-11-23)21(25)22-16(3)12-26-5/h6-7,16,18H,8-13H2,1-5H3,(H,22,25).
What are the key properties of N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide?
N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 46982810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).