2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one

C21H25ClN4O3 — CID 129324382

IUPAC2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
SMILESCc1cc(C(=O)N2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)ccc1Cl
InChIInChI=1S/C21H25ClN4O3/c1-15-11-16(4-5-19(15)22)21(28)25-6-2-3-17(14-25)26-20(27)12-18(13-23-26)24-7-9-29-10-8-24/h4-5,11-13,17H,2-3,6-10,14H2,1H3/t17-/m1/s1
InChIKeyMCQYYLGNMKYTRB-QGZVFWFLSA-N
MW416.91 g/mol
LogP2.52
Rot. Bonds3

About 2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one

2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 129324382) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID129324382
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC Name2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
SMILESCc1cc(C(=O)N2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)ccc1Cl
InChIInChI=1S/C21H25ClN4O3/c1-15-11-16(4-5-19(15)22)21(28)25-6-2-3-17(14-25)26-20(27)12-18(13-23-26)24-7-9-29-10-8-24/h4-5,11-13,17H,2-3,6-10,14H2,1H3/t17-/m1/s1
InChIKeyMCQYYLGNMKYTRB-QGZVFWFLSA-N
XLogP2.52
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one with MolForge

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Related Compounds

2-[(3R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one
CID 129325104
2-[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 128987682
2-[(3S)-3-[4-(azetidin-1-yl)-6-oxopyridazin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 129323756
2-[3-[4-(azetidin-1-yl)-6-oxopyridazin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 128974403
methyl (3S)-1-(4-chloro-3-methylbenzoyl)piperidine-3-carboxylate
CID 103760234
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701234
5-(azetidin-1-yl)-2-[(3S)-1-(isoquinoline-4-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 129324152
5-(azetidin-1-yl)-2-[(3S)-1-(2-phenyltriazole-4-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 129323859
(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706030
(4-chloro-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 112701154
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
CID 113265061
(4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone
CID 121451758

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one (CID 129324382) is 2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one is Cc1cc(C(=O)N2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)ccc1Cl.
What is the InChIKey of 2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is MCQYYLGNMKYTRB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25ClN4O3/c1-15-11-16(4-5-19(15)22)21(28)25-6-2-3-17(14-25)26-20(27)12-18(13-23-26)24-7-9-29-10-8-24/h4-5,11-13,17H,2-3,6-10,14H2,1H3/t17-/m1/s1.
What are the key properties of 2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one?
2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 416.91 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(4-chloro-3-methylbenzoyl)piperidin-3-yl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 129324382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).