ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate

C22H28N2O3 — CID 42395681

IUPACethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2ccncc2)C1
InChIInChI=1S/C22H28N2O3/c1-3-27-21(25)22(15-19-6-4-7-20(14-19)26-2)10-5-13-24(17-22)16-18-8-11-23-12-9-18/h4,6-9,11-12,14H,3,5,10,13,15-17H2,1-2H3/t22-/m1/s1
InChIKeyHBZPFSZYZUTRHF-JOCHJYFZSA-N
MW368.48 g/mol
LogP3.48
Rot. Bonds7

About ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate

ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate (PubChem CID 42395681) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate
PubChem CID42395681
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Nameethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2ccncc2)C1
InChIInChI=1S/C22H28N2O3/c1-3-27-21(25)22(15-19-6-4-7-20(14-19)26-2)10-5-13-24(17-22)16-18-8-11-23-12-9-18/h4,6-9,11-12,14H,3,5,10,13,15-17H2,1-2H3/t22-/m1/s1
InChIKeyHBZPFSZYZUTRHF-JOCHJYFZSA-N
XLogP3.48
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)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

ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 42345116
ethyl (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 42217106
ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 25371387
ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxylate
CID 45180380
ethyl 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 45195623
ethyl 3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylsulfanylacetyl)piperidine-3-carboxylate
CID 45181438
ethyl (3R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 25453470
ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidine-3-carboxylate
CID 25371111
1-[(3,5-dimethoxyphenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232347
ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate
CID 74441655
ethyl 4-[(3-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxylate
CID 42193901
ethyl (3R)-1-(2,6-dimethylpyrimidine-4-carbonyl)-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 25279953

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate (CID 42395681) is ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate is CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2ccncc2)C1.
What is the InChIKey of ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate?
The InChIKey is HBZPFSZYZUTRHF-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-27-21(25)22(15-19-6-4-7-20(14-19)26-2)10-5-13-24(17-22)16-18-8-11-23-12-9-18/h4,6-9,11-12,14H,3,5,10,13,15-17H2,1-2H3/t22-/m1/s1.
What are the key properties of ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate?
ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[(3-methoxyphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 42395681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).