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

C16H23N5O3 — CID 72867018

IUPAC2-methyl-5-[4-[2-(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)CN3CCCCC3=O)CC2)cc1=O
InChIInChI=1S/C16H23N5O3/c1-18-15(23)10-13(11-17-18)19-6-8-20(9-7-19)16(24)12-21-5-3-2-4-14(21)22/h10-11H,2-9,12H2,1H3
InChIKeyHHYFPEKNMDIUQT-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.56
Rot. Bonds3

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

2-methyl-5-[4-[2-(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 72867018) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-methyl-5-[4-[2-(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-[2-(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one
PubChem CID72867018
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-methyl-5-[4-[2-(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)CN3CCCCC3=O)CC2)cc1=O
InChIInChI=1S/C16H23N5O3/c1-18-15(23)10-13(11-17-18)19-6-8-20(9-7-19)16(24)12-21-5-3-2-4-14(21)22/h10-11H,2-9,12H2,1H3
InChIKeyHHYFPEKNMDIUQT-UHFFFAOYSA-N
XLogP-0.56
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-{4-[(1-ethyl-6-oxo-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72861124
5-{4-[(1-isopropyl-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72887593
2-methyl-5-{4-[(1-propionyl-3-piperidinyl)carbonyl]-1-piperazinyl}-3(2H)-pyridazinone
CID 72906911
5-{4-[(1-acetyl-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72924136
2-methyl-5-{3-[2-(4-methylpiperazino)-2-oxoethyl]piperidino}-3(2H)-pyridazinone
CID 91917387
2-Ethyl-5-{3-[2-(4-ethylpiperazin-1-YL)-2-oxoethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 91917457
2-Methyl-5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202114
5-[4-(4-Butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 53202123
2-Methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one
CID 53202124
5-[4-(4-Methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
CID 53202144
2-Propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202162
5-{4-[(4-methylpiperidin-1-yl)carbonyl]piperidin-1-yl}-2-propylpyridazin-3(2H)-one
CID 53202194

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[2-(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-[2-(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one (CID 72867018) is 2-methyl-5-[4-[2-(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-[2-(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-[2-(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one is Cn1ncc(N2CCN(C(=O)CN3CCCCC3=O)CC2)cc1=O.
What is the InChIKey of 2-methyl-5-[4-[2-(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is HHYFPEKNMDIUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-18-15(23)10-13(11-17-18)19-6-8-20(9-7-19)16(24)12-21-5-3-2-4-14(21)22/h10-11H,2-9,12H2,1H3.
What are the key properties of 2-methyl-5-[4-[2-(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-[2-(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 333.39 g/mol, XLogP of -0.56, 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-[2-(2-oxopiperidin-1-yl)acetyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 72867018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).