ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate

C19H33N3O3 — CID 26329692

IUPACethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate
SMILESCCCn1ncc(CN2CCC[C@](CCOC)(C(=O)OCC)C2)c1C
InChIInChI=1S/C19H33N3O3/c1-5-10-22-16(3)17(13-20-22)14-21-11-7-8-19(15-21,9-12-24-4)18(23)25-6-2/h13H,5-12,14-15H2,1-4H3/t19-/m1/s1
InChIKeyXXFKXNODSANWNQ-LJQANCHMSA-N
MW351.49 g/mol
LogP2.78
Rot. Bonds9

About ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate

ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate (PubChem CID 26329692) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate
PubChem CID26329692
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Nameethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate
SMILESCCCn1ncc(CN2CCC[C@](CCOC)(C(=O)OCC)C2)c1C
InChIInChI=1S/C19H33N3O3/c1-5-10-22-16(3)17(13-20-22)14-21-11-7-8-19(15-21,9-12-24-4)18(23)25-6-2/h13H,5-12,14-15H2,1-4H3/t19-/m1/s1
InChIKeyXXFKXNODSANWNQ-LJQANCHMSA-N
XLogP2.78
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 45183792
ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 45180720
ethyl 1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
CID 42286901
ethyl 4-[(4-chlorophenyl)methyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxylate
CID 42377746
ethyl (3S)-3-(2-methoxyethyl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 42197367
ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 45208197
ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate
CID 42520187
1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine
CID 77098022
ethyl (3S)-3-(2-methoxyethyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidine-3-carboxylate
CID 29022675
ethyl (3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 42343526
ethyl (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 42460285
ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 45229594

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate (CID 26329692) is ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate is CCCn1ncc(CN2CCC[C@](CCOC)(C(=O)OCC)C2)c1C.
What is the InChIKey of ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate?
The InChIKey is XXFKXNODSANWNQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-5-10-22-16(3)17(13-20-22)14-21-11-7-8-19(15-21,9-12-24-4)18(23)25-6-2/h13H,5-12,14-15H2,1-4H3/t19-/m1/s1.
What are the key properties of ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate?
ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate has a molecular weight of 351.49 g/mol, XLogP of 2.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 26329692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).