ethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate

C20H31N3O3 — CID 78318317

IUPACethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(c3cccc(OCC)n3)CC2)CC1
InChIInChI=1S/C20H31N3O3/c1-3-25-19-7-5-6-18(21-19)16-8-12-22(13-9-16)17-10-14-23(15-11-17)20(24)26-4-2/h5-7,16-17H,3-4,8-15H2,1-2H3
InChIKeyMWGHAWDTMKNKKA-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.28
Rot. Bonds5

About ethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 78318317) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is ethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID78318317
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nameethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(c3cccc(OCC)n3)CC2)CC1
InChIInChI=1S/C20H31N3O3/c1-3-25-19-7-5-6-18(21-19)16-8-12-22(13-9-16)17-10-14-23(15-11-17)20(24)26-4-2/h5-7,16-17H,3-4,8-15H2,1-2H3
InChIKeyMWGHAWDTMKNKKA-UHFFFAOYSA-N
XLogP3.28
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-((4-(3-methoxypyridin-2-yl)piperidin-1-yl)methyl)piperidine-1-carboxylate
CID 155518790
(6-Cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate
CID 155530277
US10800755, Example 28
CID 146330152
[(3S,5R)-5-(6-methoxypyridin-2-yl)-1-methylpiperidin-3-yl]methanol
CID 638637
Jussiaeiine B
CID 638702
(2R,7R,9S,9aR)-9-(hydroxymethyl)-7-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol
CID 638703
Jussiaeiine D
CID 638704
US10030012, Example 47
CID 78318146
US10030012, Example 32
CID 78318994
US10030012, Example 33
CID 78318995
US10030012, Example 34
CID 78318996
US10233152, Example 114
CID 129279636

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate (CID 78318317) is ethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(c3cccc(OCC)n3)CC2)CC1.
What is the InChIKey of ethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is MWGHAWDTMKNKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-25-19-7-5-6-18(21-19)16-8-12-22(13-9-16)17-10-14-23(15-11-17)20(24)26-4-2/h5-7,16-17H,3-4,8-15H2,1-2H3.
What are the key properties of ethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(6-ethoxy-2-pyridinyl)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 78318317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).