(4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone

C21H26N4O — CID 53035074

IUPAC(4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(-c3ccc(N4CCCC4)nn3)cc2)CC1
InChIInChI=1S/C21H26N4O/c1-16-10-14-25(15-11-16)21(26)18-6-4-17(5-7-18)19-8-9-20(23-22-19)24-12-2-3-13-24/h4-9,16H,2-3,10-15H2,1H3
InChIKeyFFGHXICSEGFKLR-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.62
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone

(4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone (PubChem CID 53035074) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone
PubChem CID53035074
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(-c3ccc(N4CCCC4)nn3)cc2)CC1
InChIInChI=1S/C21H26N4O/c1-16-10-14-25(15-11-16)21(26)18-6-4-17(5-7-18)19-8-9-20(23-22-19)24-12-2-3-13-24/h4-9,16H,2-3,10-15H2,1H3
InChIKeyFFGHXICSEGFKLR-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
N-cyclohexyl-N-methyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035078
(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 53025387
(4-tert-butylphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053458
(4-methoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053460
N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075
[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 122336160
[4-(dimethylamino)phenyl]-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336109
[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-nitrophenyl)methanone
CID 121053475
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 41089285
3-(4-methylpiperidin-1-yl)-6-(4-nitrophenyl)pyridazine
CID 155759066

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone (CID 53035074) is (4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone is CC1CCN(C(=O)c2ccc(-c3ccc(N4CCCC4)nn3)cc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone?
The InChIKey is FFGHXICSEGFKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-10-14-25(15-11-16)21(26)18-6-4-17(5-7-18)19-8-9-20(23-22-19)24-12-2-3-13-24/h4-9,16H,2-3,10-15H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone?
(4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone has a molecular weight of 350.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone is sourced from PubChem (CID 53035074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).