(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C22H29N5O — CID 121053406

IUPAC(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)c1
InChIInChI=1S/C22H29N5O/c1-17-6-5-8-19(16-17)22(28)26-14-12-25(13-15-26)20-9-10-21(24-23-20)27-11-4-3-7-18(27)2/h5-6,8-10,16,18H,3-4,7,11-15H2,1-2H3
InChIKeyBKXWQQWSWLPNAR-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.13
Rot. Bonds3

About (3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121053406) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121053406
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)c1
InChIInChI=1S/C22H29N5O/c1-17-6-5-8-19(16-17)22(28)26-14-12-25(13-15-26)20-9-10-21(24-23-20)27-11-4-3-7-18(27)2/h5-6,8-10,16,18H,3-4,7,11-15H2,1-2H3
InChIKeyBKXWQQWSWLPNAR-UHFFFAOYSA-N
XLogP3.13
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 122335889
(3-fluoro-4-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335846
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122335890
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122335790
1,3-benzothiazol-6-yl-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335774
[4-(dimethylamino)phenyl]-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122335819
N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335737
(3-methylphenyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70702517
[2-(2-methylpiperidin-1-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 166191035
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121053900

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121053406) is (3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is Cc1cccc(C(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)c1.
What is the InChIKey of (3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is BKXWQQWSWLPNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-6-5-8-19(16-17)22(28)26-14-12-25(13-15-26)20-9-10-21(24-23-20)27-11-4-3-7-18(27)2/h5-6,8-10,16,18H,3-4,7,11-15H2,1-2H3.
What are the key properties of (3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 379.51 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121053406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).