[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C21H26N4O — CID 93055749

IUPAC[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2ccc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nn2)cc1
InChIInChI=1S/C21H26N4O/c1-16-6-8-17(9-7-16)19-10-11-20(23-22-19)25-14-4-5-18(15-25)21(26)24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m1/s1
InChIKeyFRFMHMQROBOOMH-GOSISDBHSA-N
MW350.47 g/mol
LogP3.29
Rot. Bonds3

About [(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 93055749) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID93055749
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2ccc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nn2)cc1
InChIInChI=1S/C21H26N4O/c1-16-6-8-17(9-7-16)19-10-11-20(23-22-19)25-14-4-5-18(15-25)21(26)24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m1/s1
InChIKeyFRFMHMQROBOOMH-GOSISDBHSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 53025387
(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055724
[(3R)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 95795097
N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53004870
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055740
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
methyl 1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxylate
CID 108773382
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3S)-1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 51691251
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
CID 93055793
(3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055757
(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118558
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 93055749) is [(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nn2)cc1.
What is the InChIKey of [(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FRFMHMQROBOOMH-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-6-8-17(9-7-16)19-10-11-20(23-22-19)25-14-4-5-18(15-25)21(26)24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m1/s1.
What are the key properties of [(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 350.47 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 93055749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).