ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate

C17H23N3O5 — CID 124892311

IUPACethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(O[C@@H]3CCOC3)nc2)CC1
InChIInChI=1S/C17H23N3O5/c1-2-24-17(22)20-8-6-19(7-9-20)16(21)13-3-4-15(18-11-13)25-14-5-10-23-12-14/h3-4,11,14H,2,5-10,12H2,1H3/t14-/m1/s1
InChIKeyQAIWBOFSQKJRTR-CQSZACIVSA-N
MW349.39 g/mol
LogP1.16
Rot. Bonds4

About ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 124892311) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate
PubChem CID124892311
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Nameethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(O[C@@H]3CCOC3)nc2)CC1
InChIInChI=1S/C17H23N3O5/c1-2-24-17(22)20-8-6-19(7-9-20)16(21)13-3-4-15(18-11-13)25-14-5-10-23-12-14/h3-4,11,14H,2,5-10,12H2,1H3/t14-/m1/s1
InChIKeyQAIWBOFSQKJRTR-CQSZACIVSA-N
XLogP1.16
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate (CID 124892311) is ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(O[C@@H]3CCOC3)nc2)CC1.
What is the InChIKey of ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is QAIWBOFSQKJRTR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-2-24-17(22)20-8-6-19(7-9-20)16(21)13-3-4-15(18-11-13)25-14-5-10-23-12-14/h3-4,11,14H,2,5-10,12H2,1H3/t14-/m1/s1.
What are the key properties of ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 124892311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).