4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one

C17H27N5O2 — CID 53202054

IUPAC4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESCC(C)N1CCN(C(=O)C2CCN(c3cn[nH]c(=O)c3)CC2)CC1
InChIInChI=1S/C17H27N5O2/c1-13(2)20-7-9-22(10-8-20)17(24)14-3-5-21(6-4-14)15-11-16(23)19-18-12-15/h11-14H,3-10H2,1-2H3,(H,19,23)
InChIKeyKTUBTELXEOUPEF-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.54
Rot. Bonds3

About 4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one

4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 53202054) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID53202054
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESCC(C)N1CCN(C(=O)C2CCN(c3cn[nH]c(=O)c3)CC2)CC1
InChIInChI=1S/C17H27N5O2/c1-13(2)20-7-9-22(10-8-20)17(24)14-3-5-21(6-4-14)15-11-16(23)19-18-12-15/h11-14H,3-10H2,1-2H3,(H,19,23)
InChIKeyKTUBTELXEOUPEF-UHFFFAOYSA-N
XLogP0.54
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one (CID 53202054) is 4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one is CC(C)N1CCN(C(=O)C2CCN(c3cn[nH]c(=O)c3)CC2)CC1.
What is the InChIKey of 4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is KTUBTELXEOUPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13(2)20-7-9-22(10-8-20)17(24)14-3-5-21(6-4-14)15-11-16(23)19-18-12-15/h11-14H,3-10H2,1-2H3,(H,19,23).
What are the key properties of 4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one?
4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 333.44 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 53202054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).