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

C18H29N5O2 — CID 72887593

IUPAC2-methyl-5-[4-(1-propan-2-ylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one
SMILESCC(C)N1CCCC(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1
InChIInChI=1S/C18H29N5O2/c1-14(2)23-6-4-5-15(13-23)18(25)22-9-7-21(8-10-22)16-11-17(24)20(3)19-12-16/h11-12,14-15H,4-10,13H2,1-3H3
InChIKeyRYLQXDNTSBKEGS-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.55
Rot. Bonds3

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

2-methyl-5-[4-(1-propan-2-ylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 72887593) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methyl-5-[4-(1-propan-2-ylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-(1-propan-2-ylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one
PubChem CID72887593
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-methyl-5-[4-(1-propan-2-ylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one
SMILESCC(C)N1CCCC(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1
InChIInChI=1S/C18H29N5O2/c1-14(2)23-6-4-5-15(13-23)18(25)22-9-7-21(8-10-22)16-11-17(24)20(3)19-12-16/h11-12,14-15H,4-10,13H2,1-3H3
InChIKeyRYLQXDNTSBKEGS-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-[4-(1-propan-2-ylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-(1-propan-2-ylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one (CID 72887593) is 2-methyl-5-[4-(1-propan-2-ylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-(1-propan-2-ylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-(1-propan-2-ylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one is CC(C)N1CCCC(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)C1.
What is the InChIKey of 2-methyl-5-[4-(1-propan-2-ylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is RYLQXDNTSBKEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14(2)23-6-4-5-15(13-23)18(25)22-9-7-21(8-10-22)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-[4-(1-propan-2-ylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-(1-propan-2-ylpiperidine-3-carbonyl)piperazin-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-[4-(1-propan-2-ylpiperidine-3-carbonyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 72887593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).