ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate

C21H24N2O4 — CID 47069831

IUPACethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccnc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C21H24N2O4/c1-2-26-21(25)17-9-12-23(13-10-17)20(24)18-8-11-22-19(14-18)27-15-16-6-4-3-5-7-16/h3-8,11,14,17H,2,9-10,12-13,15H2,1H3
InChIKeyRYQQILMUFDHGDC-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.08
Rot. Bonds6

About ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 47069831) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate
PubChem CID47069831
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccnc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C21H24N2O4/c1-2-26-21(25)17-9-12-23(13-10-17)20(24)18-8-11-22-19(14-18)27-15-16-6-4-3-5-7-16/h3-8,11,14,17H,2,9-10,12-13,15H2,1H3
InChIKeyRYQQILMUFDHGDC-UHFFFAOYSA-N
XLogP3.08
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 56798532
ethyl 1-[3-[(3-hydroxyphenyl)methyl]benzoyl]piperidine-4-carboxylate
CID 143311863
ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
CID 84573349
ethyl 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43156402
ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51110016
(2R,3R)-2-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 122116549
ethyl 1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-3-carboxylate
CID 121167757
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495
6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 122113029
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate
CID 39891416

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate (CID 47069831) is ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccnc(OCc3ccccc3)c2)CC1.
What is the InChIKey of ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is RYQQILMUFDHGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-26-21(25)17-9-12-23(13-10-17)20(24)18-8-11-22-19(14-18)27-15-16-6-4-3-5-7-16/h3-8,11,14,17H,2,9-10,12-13,15H2,1H3.
What are the key properties of ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 47069831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).