(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone

C15H23N5O — CID 110257923

IUPAC(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone
SMILESCN1CCN(C(=O)C2CCCN(c3cccnn3)C2)CC1
InChIInChI=1S/C15H23N5O/c1-18-8-10-19(11-9-18)15(21)13-4-3-7-20(12-13)14-5-2-6-16-17-14/h2,5-6,13H,3-4,7-12H2,1H3
InChIKeyNCMXWZHAMXXFOP-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.47
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone

(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone (PubChem CID 110257923) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone
PubChem CID110257923
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone
SMILESCN1CCN(C(=O)C2CCCN(c3cccnn3)C2)CC1
InChIInChI=1S/C15H23N5O/c1-18-8-10-19(11-9-18)15(21)13-4-3-7-20(12-13)14-5-2-6-16-17-14/h2,5-6,13H,3-4,7-12H2,1H3
InChIKeyNCMXWZHAMXXFOP-UHFFFAOYSA-N
XLogP0.47
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone 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

1-{4-[5-(Dimethylamino)pyridazin-3-YL]piperazin-1-YL}-2-methylpropan-1-one
CID 71807486
1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)-3-methylbutan-1-one
CID 71807488
3-Cyclohexyl-1-{4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl}propan-1-one
CID 71807490
(1-Methylpyrrolidin-3-yl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 72142380
N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide
CID 95817059
(4-Methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone
CID 95826552
1-[4-(1-Pyridazin-3-ylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110257965
(4-Methylpiperazin-1-yl)-(1-pyridazin-3-ylpyrrolidin-3-yl)methanone
CID 118740209
N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 50785655
Cyclopentyl(4-(5-(dimethylamino)pyridazin-3-yl)piperazin-1-yl)methanone
CID 71807489
3,3-difluoro-N-methyl-N-[1-(pyridazin-3-yl)piperidin-4-yl]cyclohexane-1-carboxamide
CID 137844834
(2S)-4,4,4-trifluoro-2-methyl-1-(4-pyridazin-3-ylpiperazin-1-yl)butan-1-one
CID 68641409

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone (CID 110257923) is (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone is CN1CCN(C(=O)C2CCCN(c3cccnn3)C2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone?
The InChIKey is NCMXWZHAMXXFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-18-8-10-19(11-9-18)15(21)13-4-3-7-20(12-13)14-5-2-6-16-17-14/h2,5-6,13H,3-4,7-12H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone?
(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 110257923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).