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

C19H31N5O2 — CID 72849560

IUPAC2-methyl-5-[4-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperazin-1-yl]pyridazin-3-one
SMILESCC(C)N1CCC(CC(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)CC1
InChIInChI=1S/C19H31N5O2/c1-15(2)22-6-4-16(5-7-22)12-19(26)24-10-8-23(9-11-24)17-13-18(25)21(3)20-14-17/h13-16H,4-12H2,1-3H3
InChIKeyYCBRVNPMFOCCFV-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.94
Rot. Bonds4

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

2-methyl-5-[4-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 72849560) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-methyl-5-[4-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperazin-1-yl]pyridazin-3-one
PubChem CID72849560
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-methyl-5-[4-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperazin-1-yl]pyridazin-3-one
SMILESCC(C)N1CCC(CC(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)CC1
InChIInChI=1S/C19H31N5O2/c1-15(2)22-6-4-16(5-7-22)12-19(26)24-10-8-23(9-11-24)17-13-18(25)21(3)20-14-17/h13-16H,4-12H2,1-3H3
InChIKeyYCBRVNPMFOCCFV-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
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-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperazin-1-yl]pyridazin-3-one (CID 72849560) is 2-methyl-5-[4-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperazin-1-yl]pyridazin-3-one is CC(C)N1CCC(CC(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)CC1.
What is the InChIKey of 2-methyl-5-[4-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is YCBRVNPMFOCCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15(2)22-6-4-16(5-7-22)12-19(26)24-10-8-23(9-11-24)17-13-18(25)21(3)20-14-17/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-methyl-5-[4-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 361.49 g/mol, XLogP of 0.94, 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-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 72849560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).