ethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate

C18H26N4O4 — CID 56899306

IUPACethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)CC1
InChIInChI=1S/C18H26N4O4/c1-2-26-18(25)21-10-8-20(9-11-21)15-4-3-7-22(13-15)17(24)14-5-6-16(23)19-12-14/h5-6,12,15H,2-4,7-11,13H2,1H3,(H,19,23)
InChIKeyHRTVIPFMVKFNEO-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.75
Rot. Bonds3

About ethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate

ethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate (PubChem CID 56899306) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
PubChem CID56899306
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Nameethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)CC1
InChIInChI=1S/C18H26N4O4/c1-2-26-18(25)21-10-8-20(9-11-21)15-4-3-7-22(13-15)17(24)14-5-6-16(23)19-12-14/h5-6,12,15H,2-4,7-11,13H2,1H3,(H,19,23)
InChIKeyHRTVIPFMVKFNEO-UHFFFAOYSA-N
XLogP0.75
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate (CID 56899306) is ethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C2CCCN(C(=O)c3ccc(=O)[nH]c3)C2)CC1.
What is the InChIKey of ethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate?
The InChIKey is HRTVIPFMVKFNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-2-26-18(25)21-10-8-20(9-11-21)15-4-3-7-22(13-15)17(24)14-5-6-16(23)19-12-14/h5-6,12,15H,2-4,7-11,13H2,1H3,(H,19,23).
What are the key properties of ethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate?
ethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 56899306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).