methyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate

C19H27NO4 — CID 46769392

IUPACmethyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)Oc2cc(C)cc(C)c2C)CC1
InChIInChI=1S/C19H27NO4/c1-12-10-13(2)14(3)17(11-12)24-15(4)18(21)20-8-6-16(7-9-20)19(22)23-5/h10-11,15-16H,6-9H2,1-5H3
InChIKeyQHBYWIDMYAEBJS-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.79
Rot. Bonds4

About methyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate

methyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate (PubChem CID 46769392) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is methyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate
PubChem CID46769392
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Namemethyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)Oc2cc(C)cc(C)c2C)CC1
InChIInChI=1S/C19H27NO4/c1-12-10-13(2)14(3)17(11-12)24-15(4)18(21)20-8-6-16(7-9-20)19(22)23-5/h10-11,15-16H,6-9H2,1-5H3
InChIKeyQHBYWIDMYAEBJS-UHFFFAOYSA-N
XLogP2.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(2S)-2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate
CID 93486703
(2R)-1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 38004866
(2R)-1-(azepan-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 92677756
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793798
(2S)-1-(3,3-dimethylpiperidin-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 94018895
(2R)-1-(3,3-dimethylpiperidin-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 94018896
methyl 1-[N'-methyl-N-[3-(2,3,5-trimethylphenoxy)propyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254092
methyl 1-[2-(2-chlorophenoxy)propanoyl]pyrrolidine-3-carboxylate
CID 112733832
N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 46771023
1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 55823679
2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 42904169

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate (CID 46769392) is methyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C(C)Oc2cc(C)cc(C)c2C)CC1.
What is the InChIKey of methyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate?
The InChIKey is QHBYWIDMYAEBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-12-10-13(2)14(3)17(11-12)24-15(4)18(21)20-8-6-16(7-9-20)19(22)23-5/h10-11,15-16H,6-9H2,1-5H3.
What are the key properties of methyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate?
methyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 46769392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).