ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate

C19H27N3O3 — CID 84573349

IUPACethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccnc(N3CCCCC3)c2)CC1
InChIInChI=1S/C19H27N3O3/c1-2-25-19(24)15-7-12-22(13-8-15)18(23)16-6-9-20-17(14-16)21-10-4-3-5-11-21/h6,9,14-15H,2-5,7-8,10-13H2,1H3
InChIKeyRORMXYMQYBLMSL-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.49
Rot. Bonds4

About ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 84573349) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
PubChem CID84573349
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nameethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccnc(N3CCCCC3)c2)CC1
InChIInChI=1S/C19H27N3O3/c1-2-25-19(24)15-7-12-22(13-8-15)18(23)16-6-9-20-17(14-16)21-10-4-3-5-11-21/h6,9,14-15H,2-5,7-8,10-13H2,1H3
InChIKeyRORMXYMQYBLMSL-UHFFFAOYSA-N
XLogP2.49
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-[N-ethyl-N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111154857
ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 47069831
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495
ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
CID 660812
ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate
CID 105380316
(6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide
CID 124993865
ethyl 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43156402
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate (CID 84573349) is ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccnc(N3CCCCC3)c2)CC1.
What is the InChIKey of ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is RORMXYMQYBLMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-25-19(24)15-7-12-22(13-8-15)18(23)16-6-9-20-17(14-16)21-10-4-3-5-11-21/h6,9,14-15H,2-5,7-8,10-13H2,1H3.
What are the key properties of ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 84573349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).