ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate

C21H26N2O3 — CID 42851813

IUPACethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cncc(-c3cccc(OC)c3)c2)CC1
InChIInChI=1S/C21H26N2O3/c1-3-26-21(24)17-7-9-23(10-8-17)15-16-11-19(14-22-13-16)18-5-4-6-20(12-18)25-2/h4-6,11-14,17H,3,7-10,15H2,1-2H3
InChIKeyAZXNRWZLUQMTOM-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.53
Rot. Bonds6

About ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate

ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate (PubChem CID 42851813) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate
PubChem CID42851813
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Nameethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cncc(-c3cccc(OC)c3)c2)CC1
InChIInChI=1S/C21H26N2O3/c1-3-26-21(24)17-7-9-23(10-8-17)15-16-11-19(14-22-13-16)18-5-4-6-20(12-18)25-2/h4-6,11-14,17H,3,7-10,15H2,1-2H3
InChIKeyAZXNRWZLUQMTOM-UHFFFAOYSA-N
XLogP3.53
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-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 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate
CID 113470964
ethyl (3R)-1-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]piperidine-3-carboxylate
CID 92984916
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
ethyl 1-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 20918297
ethyl (3S)-1-[[5-(4-fluoro-3-methylphenyl)-3-pyridinyl]methyl]piperidine-3-carboxylate
CID 92984931
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544
ethyl 1-[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 25249218
N-(3-methoxyphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
CID 18174133
ethyl (4R)-6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95184282
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 167387723

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate (CID 42851813) is ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cncc(-c3cccc(OC)c3)c2)CC1.
What is the InChIKey of ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate?
The InChIKey is AZXNRWZLUQMTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-26-21(24)17-7-9-23(10-8-17)15-16-11-19(14-22-13-16)18-5-4-6-20(12-18)25-2/h4-6,11-14,17H,3,7-10,15H2,1-2H3.
What are the key properties of ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate?
ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[5-(3-methoxyphenyl)-3-pyridinyl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 42851813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).