2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one

C18H27N5O3 — CID 134043793

IUPAC2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C18H27N5O3/c1-14-5-3-4-8-23(14)17(25)13-21-9-11-22(12-10-21)18(26)15-6-7-16(24)20(2)19-15/h6-7,14H,3-5,8-13H2,1-2H3
InChIKeyDVTNSGXQUVEGCC-UHFFFAOYSA-N
MW361.45 g/mol
LogP-0.06
Rot. Bonds3

About 2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one

2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 134043793) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one
PubChem CID134043793
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C18H27N5O3/c1-14-5-3-4-8-23(14)17(25)13-21-9-11-22(12-10-21)18(26)15-6-7-16(24)20(2)19-15/h6-7,14H,3-5,8-13H2,1-2H3
InChIKeyDVTNSGXQUVEGCC-UHFFFAOYSA-N
XLogP-0.06
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]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

Related Compounds

2-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 94824147
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 121066841
(E)-3-(4-methylphenyl)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]prop-2-en-1-one
CID 47022991
2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 51145418
3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62217813
2-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 48691563
3-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 36548987
2-[(1S,2R)-2-hydroxycyclohexyl]-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 124881787
2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 47020029
5-amino-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 62815109
2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 47162984

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one (CID 134043793) is 2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one is CC1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1.
What is the InChIKey of 2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is DVTNSGXQUVEGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-14-5-3-4-8-23(14)17(25)13-21-9-11-22(12-10-21)18(26)15-6-7-16(24)20(2)19-15/h6-7,14H,3-5,8-13H2,1-2H3.
What are the key properties of 2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 361.45 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 134043793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).