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

C15H23N5O — CID 95826552

IUPAC(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(c3cccnn3)CC2)CC1
InChIInChI=1S/C15H23N5O/c1-18-9-11-20(12-10-18)15(21)13-4-7-19(8-5-13)14-3-2-6-16-17-14/h2-3,6,13H,4-5,7-12H2,1H3
InChIKeyJAUXQXVNNYBYRO-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.47
Rot. Bonds2

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

(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone (PubChem CID 95826552) 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-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone
PubChem CID95826552
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(c3cccnn3)CC2)CC1
InChIInChI=1S/C15H23N5O/c1-18-9-11-20(12-10-18)15(21)13-4-7-19(8-5-13)14-3-2-6-16-17-14/h2-3,6,13H,4-5,7-12H2,1H3
InChIKeyJAUXQXVNNYBYRO-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

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone (CID 95826552) is (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone is CN1CCN(C(=O)C2CCN(c3cccnn3)CC2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone?
The InChIKey is JAUXQXVNNYBYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-18-9-11-20(12-10-18)15(21)13-4-7-19(8-5-13)14-3-2-6-16-17-14/h2-3,6,13H,4-5,7-12H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone?
(4-methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-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-4-yl)methanone is sourced from PubChem (CID 95826552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).