2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide

C20H30N2O3 — CID 108558496

IUPAC2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide
SMILESCc1ccc(C)c(OCC(=O)N2CCC(NC(=O)C(C)C)CC2)c1C
InChIInChI=1S/C20H30N2O3/c1-13(2)20(24)21-17-8-10-22(11-9-17)18(23)12-25-19-15(4)7-6-14(3)16(19)5/h6-7,13,17H,8-12H2,1-5H3,(H,21,24)
InChIKeyJZGWLUJBBDURDD-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.75
Rot. Bonds5

About 2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide

2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide (PubChem CID 108558496) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide
PubChem CID108558496
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide
SMILESCc1ccc(C)c(OCC(=O)N2CCC(NC(=O)C(C)C)CC2)c1C
InChIInChI=1S/C20H30N2O3/c1-13(2)20(24)21-17-8-10-22(11-9-17)18(23)12-25-19-15(4)7-6-14(3)16(19)5/h6-7,13,17H,8-12H2,1-5H3,(H,21,24)
InChIKeyJZGWLUJBBDURDD-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565236
2-(4-chlorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108565232
N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553275
N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554034
4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108558559
N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553233
N-[(4S,5S)-1-[2-(2,6-dimethylphenoxy)acetyl]-5-hydroxyazepan-4-yl]-2-methylpropanamide
CID 110164350
4-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565225
2-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565064
N-(1-methoxypropan-2-yl)-1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidine-4-carboxamide
CID 46982810
N-cyclopropyl-2-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]propanamide
CID 51299605
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553238

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide (CID 108558496) is 2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide is Cc1ccc(C)c(OCC(=O)N2CCC(NC(=O)C(C)C)CC2)c1C.
What is the InChIKey of 2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide?
The InChIKey is JZGWLUJBBDURDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-13(2)20(24)21-17-8-10-22(11-9-17)18(23)12-25-19-15(4)7-6-14(3)16(19)5/h6-7,13,17H,8-12H2,1-5H3,(H,21,24).
What are the key properties of 2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide?
2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide has a molecular weight of 346.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108558496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).