ethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

C19H27NO4 — CID 23723456

IUPACethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2C)CCCN(C(=O)COC)C1
InChIInChI=1S/C19H27NO4/c1-4-24-18(22)19(12-16-9-6-5-8-15(16)2)10-7-11-20(14-19)17(21)13-23-3/h5-6,8-9H,4,7,10-14H2,1-3H3
InChIKeyYZVVYMGEWUAMKE-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.36
Rot. Bonds6

About ethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

ethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate (PubChem CID 23723456) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
PubChem CID23723456
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Nameethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2C)CCCN(C(=O)COC)C1
InChIInChI=1S/C19H27NO4/c1-4-24-18(22)19(12-16-9-6-5-8-15(16)2)10-7-11-20(14-19)17(21)13-23-3/h5-6,8-9H,4,7,10-14H2,1-3H3
InChIKeyYZVVYMGEWUAMKE-UHFFFAOYSA-N
XLogP2.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Morpholin-4-yl-5-oxo-3-phenylpentanoic acid
CID 2812803
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate
CID 3453266
Ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate
CID 2905874
Ethyl 1-(3-phenylbutanoyl)-3-piperidinecarboxylate
CID 2914344
Ethyl 1-(3-methoxypropanoyl)-4-(3-phenylpropyl)-4-piperidinecarboxylate
CID 16190376
Ethyl 4-(3-fluorobenzyl)-1-(tetrahydro-2-furanylcarbonyl)-4-piperidinecarboxylate
CID 16190858
Ethyl 3-benzyl-1-(2-hydroxyethyl)piperidine-3-carboxylate
CID 16188261
Ethyl 4-(3-fluorobenzyl)-1-(methoxyacetyl)piperidine-4-carboxylate
CID 16190572
Ethyl 1-(4-methoxy-4-oxobutanoyl)-3-(2-methylbenzyl)-3-piperidinecarboxylate
CID 23723860
Ethyl 3-benzyl-1-(3-methyl-2-butenoyl)-3-piperidinecarboxylate
CID 23724078
1-tert-Butyl 3-ethyl 3-benzylpiperidine-1,3-dicarboxylate
CID 19696502
Ethyl 4-(3-phenylpropyl)-1-(tetrahydro-2-furanylcarbonyl)-4-piperidinecarboxylate
CID 16188948

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate (CID 23723456) is ethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1(Cc2ccccc2C)CCCN(C(=O)COC)C1.
What is the InChIKey of ethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
The InChIKey is YZVVYMGEWUAMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-4-24-18(22)19(12-16-9-6-5-8-15(16)2)10-7-11-20(14-19)17(21)13-23-3/h5-6,8-9H,4,7,10-14H2,1-3H3.
What are the key properties of ethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
ethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxyacetyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 23723456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).