ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate

C19H33N3O3 — CID 42520187

IUPACethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(CCOC)CCCN(Cc2cc(CC(C)C)n[nH]2)C1
InChIInChI=1S/C19H33N3O3/c1-5-25-18(23)19(8-10-24-4)7-6-9-22(14-19)13-17-12-16(20-21-17)11-15(2)3/h12,15H,5-11,13-14H2,1-4H3,(H,20,21)/t19-/m1/s1
InChIKeyTVULBVSAPXZLDB-LJQANCHMSA-N
MW351.49 g/mol
LogP2.79
Rot. Bonds9

About ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate

ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate (PubChem CID 42520187) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate
PubChem CID42520187
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Nameethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(CCOC)CCCN(Cc2cc(CC(C)C)n[nH]2)C1
InChIInChI=1S/C19H33N3O3/c1-5-25-18(23)19(8-10-24-4)7-6-9-22(14-19)13-17-12-16(20-21-17)11-15(2)3/h12,15H,5-11,13-14H2,1-4H3,(H,20,21)/t19-/m1/s1
InChIKeyTVULBVSAPXZLDB-LJQANCHMSA-N
XLogP2.79
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 97117561
ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 45208197
ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 45180720
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 72904377
ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 26329692
ethyl (3S)-3-(2-methoxyethyl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 42197367
ethyl 1-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 45183792
ethyl (3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 42343526
ethyl (3S)-3-(2-methoxyethyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidine-3-carboxylate
CID 29022675
ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxylate
CID 45180380
ethyl 1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 45212947
ethyl 1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45183806

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate (CID 42520187) is ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate is CCOC(=O)[C@@]1(CCOC)CCCN(Cc2cc(CC(C)C)n[nH]2)C1.
What is the InChIKey of ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate?
The InChIKey is TVULBVSAPXZLDB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-5-25-18(23)19(8-10-24-4)7-6-9-22(14-19)13-17-12-16(20-21-17)11-15(2)3/h12,15H,5-11,13-14H2,1-4H3,(H,20,21)/t19-/m1/s1.
What are the key properties of ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate?
ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate has a molecular weight of 351.49 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate is sourced from PubChem (CID 42520187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).