ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate

C22H28N2O3 — CID 45229594

IUPACethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCOc2ccccc2)CCCN(Cc2cccnc2)C1
InChIInChI=1S/C22H28N2O3/c1-2-26-21(25)22(12-15-27-20-9-4-3-5-10-20)11-7-14-24(18-22)17-19-8-6-13-23-16-19/h3-6,8-10,13,16H,2,7,11-12,14-15,17-18H2,1H3
InChIKeyDYMWHAXFLNITRV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.70
Rot. Bonds8

About ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate

ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate (PubChem CID 45229594) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
PubChem CID45229594
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Nameethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCOc2ccccc2)CCCN(Cc2cccnc2)C1
InChIInChI=1S/C22H28N2O3/c1-2-26-21(25)22(12-15-27-20-9-4-3-5-10-20)11-7-14-24(18-22)17-19-8-6-13-23-16-19/h3-6,8-10,13,16H,2,7,11-12,14-15,17-18H2,1H3
InChIKeyDYMWHAXFLNITRV-UHFFFAOYSA-N
XLogP3.70
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 42460285
ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 26329598
ethyl 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45197896
ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 42286753
ethyl (3S)-3-(2-phenoxyethyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidine-3-carboxylate
CID 26408612
ethyl 1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45183806
ethyl (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 42311023
ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 42212234
ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate
CID 42516933
ethyl (3S)-3-(2-phenylethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 42291340
ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 45180720
ethyl 3-(3-phenylpropyl)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 45242661

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate (CID 45229594) is ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate is CCOC(=O)C1(CCOc2ccccc2)CCCN(Cc2cccnc2)C1.
What is the InChIKey of ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate?
The InChIKey is DYMWHAXFLNITRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-2-26-21(25)22(12-15-27-20-9-4-3-5-10-20)11-7-14-24(18-22)17-19-8-6-13-23-16-19/h3-6,8-10,13,16H,2,7,11-12,14-15,17-18H2,1H3.
What are the key properties of ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate?
ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 45229594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).