2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one

C20H33N5O2 — CID 53202162

IUPAC2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
SMILESCCCN1CCN(C(=O)C2CCN(c3cnn(CCC)c(=O)c3)CC2)CC1
InChIInChI=1S/C20H33N5O2/c1-3-7-22-11-13-24(14-12-22)20(27)17-5-9-23(10-6-17)18-15-19(26)25(8-4-2)21-16-18/h15-17H,3-14H2,1-2H3
InChIKeyNKHBWHDNWZHQRP-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.42
Rot. Bonds6

About 2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one

2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 53202162) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
PubChem CID53202162
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
SMILESCCCN1CCN(C(=O)C2CCN(c3cnn(CCC)c(=O)c3)CC2)CC1
InChIInChI=1S/C20H33N5O2/c1-3-7-22-11-13-24(14-12-22)20(27)17-5-9-23(10-6-17)18-15-19(26)25(8-4-2)21-16-18/h15-17H,3-14H2,1-2H3
InChIKeyNKHBWHDNWZHQRP-UHFFFAOYSA-N
XLogP1.42
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one (CID 53202162) is 2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one is CCCN1CCN(C(=O)C2CCN(c3cnn(CCC)c(=O)c3)CC2)CC1.
What is the InChIKey of 2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is NKHBWHDNWZHQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-3-7-22-11-13-24(14-12-22)20(27)17-5-9-23(10-6-17)18-15-19(26)25(8-4-2)21-16-18/h15-17H,3-14H2,1-2H3.
What are the key properties of 2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 375.52 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 53202162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).