ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate

C20H22N2O4 — CID 2813431

IUPACethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1
InChIInChI=1S/C20H22N2O4/c1-2-25-20(24)15-10-13-22(14-11-15)19(23)17-9-6-12-21-18(17)26-16-7-4-3-5-8-16/h3-9,12,15H,2,10-11,13-14H2,1H3
InChIKeyUPCUTDNNXUIBAE-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.29
Rot. Bonds5

About ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate

ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate (PubChem CID 2813431) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
PubChem CID2813431
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1
InChIInChI=1S/C20H22N2O4/c1-2-25-20(24)15-10-13-22(14-11-15)19(23)17-9-6-12-21-18(17)26-16-7-4-3-5-8-16/h3-9,12,15H,2,10-11,13-14H2,1H3
InChIKeyUPCUTDNNXUIBAE-UHFFFAOYSA-N
XLogP3.29
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
ethyl 1-(2-propylsulfanylpyridine-3-carbonyl)piperidine-4-carboxylate
CID 44760758
ethyl 1-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperidine-4-carboxylate
CID 78806429
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143
N-[1-(2-phenoxypyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 2810680
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23903349
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 55519855
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate
CID 55555560
ethyl 1-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidine-4-carboxylate
CID 32618409
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
1-(2-ethoxypyridine-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808630

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate (CID 2813431) is ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1.
What is the InChIKey of ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is UPCUTDNNXUIBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-25-20(24)15-10-13-22(14-11-15)19(23)17-9-6-12-21-18(17)26-16-7-4-3-5-8-16/h3-9,12,15H,2,10-11,13-14H2,1H3.
What are the key properties of ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate?
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 2813431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).