6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one

C24H22ClN3O3 — CID 42567357

IUPAC6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)Cn2nc(Cl)ccc2=O)C1
InChIInChI=1S/C24H22ClN3O3/c25-21-12-13-22(29)28(26-21)16-23(30)27-14-4-7-20(15-27)24(31)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-13,20H,4,7,14-16H2/t20-/m0/s1
InChIKeyNNSLAENTDWIPPU-FQEVSTJZSA-N
MW435.91 g/mol
LogP3.69
Rot. Bonds5

About 6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one

6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one (PubChem CID 42567357) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one
PubChem CID42567357
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)Cn2nc(Cl)ccc2=O)C1
InChIInChI=1S/C24H22ClN3O3/c25-21-12-13-22(29)28(26-21)16-23(30)27-14-4-7-20(15-27)24(31)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-13,20H,4,7,14-16H2/t20-/m0/s1
InChIKeyNNSLAENTDWIPPU-FQEVSTJZSA-N
XLogP3.69
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

(3R)-1-[2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-3-carboxylic acid
CID 95389667
3-methylsulfanyl-1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one
CID 42309527
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 45218026
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 25288026
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
(3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
CID 25383194
(3S)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
CID 25383197
1-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]but-2-yn-1-one
CID 25485299
1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110289396
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[3-(3-fluoro-4-phenylbenzoyl)piperidin-1-yl]ethanone
CID 45169691

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one (CID 42567357) is 6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one is O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)Cn2nc(Cl)ccc2=O)C1.
What is the InChIKey of 6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is NNSLAENTDWIPPU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c25-21-12-13-22(29)28(26-21)16-23(30)27-14-4-7-20(15-27)24(31)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-13,20H,4,7,14-16H2/t20-/m0/s1.
What are the key properties of 6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one?
6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 435.91 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 42567357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).