2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one

C18H29N5O2 — CID 53203966

IUPAC2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
SMILESCC(C)N1CCN(C(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)CC1
InChIInChI=1S/C18H29N5O2/c1-14(2)21-7-9-22(10-8-21)18(25)15-5-4-6-23(13-15)16-11-17(24)20(3)19-12-16/h11-12,14-15H,4-10,13H2,1-3H3
InChIKeyGGIJFVOJGVXNNY-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.55
Rot. Bonds3

About 2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one

2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 53203966) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
PubChem CID53203966
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
SMILESCC(C)N1CCN(C(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)CC1
InChIInChI=1S/C18H29N5O2/c1-14(2)21-7-9-22(10-8-21)18(25)15-5-4-6-23(13-15)16-11-17(24)20(3)19-12-16/h11-12,14-15H,4-10,13H2,1-3H3
InChIKeyGGIJFVOJGVXNNY-UHFFFAOYSA-N
XLogP0.55
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one (CID 53203966) is 2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one is CC(C)N1CCN(C(=O)C2CCCN(c3cnn(C)c(=O)c3)C2)CC1.
What is the InChIKey of 2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is GGIJFVOJGVXNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14(2)21-7-9-22(10-8-21)18(25)15-5-4-6-23(13-15)16-11-17(24)20(3)19-12-16/h11-12,14-15H,4-10,13H2,1-3H3.
What are the key properties of 2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one?
2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 347.46 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 53203966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).