3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one

C14H21N5O2 — CID 69249811

IUPAC3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(C1CCN(c2ccc(=O)[nH]n2)CC1)N1CCNCC1
InChIInChI=1S/C14H21N5O2/c20-13-2-1-12(16-17-13)18-7-3-11(4-8-18)14(21)19-9-5-15-6-10-19/h1-2,11,15H,3-10H2,(H,17,20)
InChIKeyLXGBJBABXHRWOR-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.58
Rot. Bonds2

About 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one

3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 69249811) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID69249811
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(C1CCN(c2ccc(=O)[nH]n2)CC1)N1CCNCC1
InChIInChI=1S/C14H21N5O2/c20-13-2-1-12(16-17-13)18-7-3-11(4-8-18)14(21)19-9-5-15-6-10-19/h1-2,11,15H,3-10H2,(H,17,20)
InChIKeyLXGBJBABXHRWOR-UHFFFAOYSA-N
XLogP-0.58
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one (CID 69249811) is 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one is O=C(C1CCN(c2ccc(=O)[nH]n2)CC1)N1CCNCC1.
What is the InChIKey of 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is LXGBJBABXHRWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c20-13-2-1-12(16-17-13)18-7-3-11(4-8-18)14(21)19-9-5-15-6-10-19/h1-2,11,15H,3-10H2,(H,17,20).
What are the key properties of 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 291.35 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 69249811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).