ethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate

C22H34N6O4 — CID 3239594

IUPACethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCN(c3ccc(N4CCOCC4)nn3)CC2)CC1
InChIInChI=1S/C22H34N6O4/c1-2-32-22(30)28-11-7-18(8-12-28)23-21(29)17-5-9-26(10-6-17)19-3-4-20(25-24-19)27-13-15-31-16-14-27/h3-4,17-18H,2,5-16H2,1H3,(H,23,29)
InChIKeyBURPGJXAHRFQMK-UHFFFAOYSA-N
MW446.55 g/mol
LogP1.27
Rot. Bonds5

About ethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 3239594) has the molecular formula C22H34N6O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is ethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID3239594
Molecular FormulaC22H34N6O4
Molecular Weight446.55 g/mol
Exact Mass446.26
IUPAC Nameethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCN(c3ccc(N4CCOCC4)nn3)CC2)CC1
InChIInChI=1S/C22H34N6O4/c1-2-32-22(30)28-11-7-18(8-12-28)23-21(29)17-5-9-26(10-6-17)19-3-4-20(25-24-19)27-13-15-31-16-14-27/h3-4,17-18H,2,5-16H2,1H3,(H,23,29)
InChIKeyBURPGJXAHRFQMK-UHFFFAOYSA-N
XLogP1.27
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate (CID 3239594) is ethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CCN(c3ccc(N4CCOCC4)nn3)CC2)CC1.
What is the InChIKey of ethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is BURPGJXAHRFQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O4/c1-2-32-22(30)28-11-7-18(8-12-28)23-21(29)17-5-9-26(10-6-17)19-3-4-20(25-24-19)27-13-15-31-16-14-27/h3-4,17-18H,2,5-16H2,1H3,(H,23,29).
What are the key properties of ethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 446.55 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 3239594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).