[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

C15H22ClN5O — CID 96557217

IUPAC[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)CC1
InChIInChI=1S/C15H22ClN5O/c1-19-7-9-20(10-8-19)15(22)12-3-2-6-21(11-12)14-5-4-13(16)17-18-14/h4-5,12H,2-3,6-11H2,1H3/t12-/m1/s1
InChIKeyMDUJEFWBOBTLTD-GFCCVEGCSA-N
MW323.83 g/mol
LogP1.12
Rot. Bonds2

About [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 96557217) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID96557217
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC Name[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)CC1
InChIInChI=1S/C15H22ClN5O/c1-19-7-9-20(10-8-19)15(22)12-3-2-6-21(11-12)14-5-4-13(16)17-18-14/h4-5,12H,2-3,6-11H2,1H3/t12-/m1/s1
InChIKeyMDUJEFWBOBTLTD-GFCCVEGCSA-N
XLogP1.12
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 94178167
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 96557517
[(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 96557518
[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 75361395
(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118558
1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 121118396
[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93055749
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51983348
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
CID 86318137
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51983350
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118547
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 92889606

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 96557217) is [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)[C@@H]2CCCN(c3ccc(Cl)nn3)C2)CC1.
What is the InChIKey of [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is MDUJEFWBOBTLTD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22ClN5O/c1-19-7-9-20(10-8-19)15(22)12-3-2-6-21(11-12)14-5-4-13(16)17-18-14/h4-5,12H,2-3,6-11H2,1H3/t12-/m1/s1.
What are the key properties of [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 323.83 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 96557217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).