5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one

C18H26N6O3 — CID 122355421

IUPAC5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)CN1
InChIInChI=1S/C18H26N6O3/c25-17-2-1-14(12-19-17)18(26)24-5-3-23(4-6-24)16-11-15(13-20-21-16)22-7-9-27-10-8-22/h11,13-14H,1-10,12H2,(H,19,25)
InChIKeySOZWUIYUVZMNQF-UHFFFAOYSA-N
MW374.45 g/mol
LogP-0.51
Rot. Bonds3

About 5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one

5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 122355421) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID122355421
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)CN1
InChIInChI=1S/C18H26N6O3/c25-17-2-1-14(12-19-17)18(26)24-5-3-23(4-6-24)16-11-15(13-20-21-16)22-7-9-27-10-8-22/h11,13-14H,1-10,12H2,(H,19,25)
InChIKeySOZWUIYUVZMNQF-UHFFFAOYSA-N
XLogP-0.51
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one (CID 122355421) is 5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one is O=C1CCC(C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)CN1.
What is the InChIKey of 5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is SOZWUIYUVZMNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c25-17-2-1-14(12-19-17)18(26)24-5-3-23(4-6-24)16-11-15(13-20-21-16)22-7-9-27-10-8-22/h11,13-14H,1-10,12H2,(H,19,25).
What are the key properties of 5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one?
5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 374.45 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 122355421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).