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

C17H25N5O4 — CID 53203769

IUPACethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCCN(c3cn[nH]c(=O)c3)C2)CC1
InChIInChI=1S/C17H25N5O4/c1-2-26-17(25)21-8-6-20(7-9-21)16(24)13-4-3-5-22(12-13)14-10-15(23)19-18-11-14/h10-11,13H,2-9,12H2,1H3,(H,19,23)
InChIKeyJZWLUVJERLGCFH-UHFFFAOYSA-N
MW363.42 g/mol
LogP0.29
Rot. Bonds3

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

ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 53203769) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
PubChem CID53203769
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Nameethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCCN(c3cn[nH]c(=O)c3)C2)CC1
InChIInChI=1S/C17H25N5O4/c1-2-26-17(25)21-8-6-20(7-9-21)16(24)13-4-3-5-22(12-13)14-10-15(23)19-18-11-14/h10-11,13H,2-9,12H2,1H3,(H,19,23)
InChIKeyJZWLUVJERLGCFH-UHFFFAOYSA-N
XLogP0.29
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 1-[(3R)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 95115378
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxylate
CID 91654996
4-[(3R)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 95115310
4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 53203838
4-[(3R)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 95115266
(3R)-N-(2-methoxyethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115370
N-(2-methoxyethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203819
N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203801
ethyl 4-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 46281699
(3S)-N-(3,4-dimethylphenyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115303
ethyl 4-[(3S)-1-methylpiperidine-3-carbonyl]piperazine-1-carboxylate
CID 96588659
ethyl 4-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 90611667

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate (CID 53203769) is ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCCN(c3cn[nH]c(=O)c3)C2)CC1.
What is the InChIKey of ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is JZWLUVJERLGCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-2-26-17(25)21-8-6-20(7-9-21)16(24)13-4-3-5-22(12-13)14-10-15(23)19-18-11-14/h10-11,13H,2-9,12H2,1H3,(H,19,23).
What are the key properties of ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 363.42 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 53203769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).