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

C19H31N5O2 — CID 53202124

IUPAC2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one
SMILESCC(C)CN1CCN(C(=O)C2CCN(c3cnn(C)c(=O)c3)CC2)CC1
InChIInChI=1S/C19H31N5O2/c1-15(2)14-22-8-10-24(11-9-22)19(26)16-4-6-23(7-5-16)17-12-18(25)21(3)20-13-17/h12-13,15-16H,4-11,14H2,1-3H3
InChIKeySZPIOOGHZNMLIB-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.80
Rot. Bonds4

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

2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 53202124) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one
PubChem CID53202124
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one
SMILESCC(C)CN1CCN(C(=O)C2CCN(c3cnn(C)c(=O)c3)CC2)CC1
InChIInChI=1S/C19H31N5O2/c1-15(2)14-22-8-10-24(11-9-22)19(26)16-4-6-23(7-5-16)17-12-18(25)21(3)20-13-17/h12-13,15-16H,4-11,14H2,1-3H3
InChIKeySZPIOOGHZNMLIB-UHFFFAOYSA-N
XLogP0.80
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one (CID 53202124) is 2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one is CC(C)CN1CCN(C(=O)C2CCN(c3cnn(C)c(=O)c3)CC2)CC1.
What is the InChIKey of 2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is SZPIOOGHZNMLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15(2)14-22-8-10-24(11-9-22)19(26)16-4-6-23(7-5-16)17-12-18(25)21(3)20-13-17/h12-13,15-16H,4-11,14H2,1-3H3.
What are the key properties of 2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one?
2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 361.49 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 53202124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).