5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one

C19H23N3O4 — CID 95719495

IUPAC5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one
SMILESCOc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3cc(=O)[nH][nH]3)C2)cc1C
InChIInChI=1S/C19H23N3O4/c1-11-7-14(8-12(2)18(11)26-3)17(24)13-5-4-6-22(10-13)19(25)15-9-16(23)21-20-15/h7-9,13H,4-6,10H2,1-3H3,(H2,20,21,23)/t13-/m0/s1
InChIKeyIWDLHNSNOZIOOZ-ZDUSSCGKSA-N
MW357.41 g/mol
LogP2.06
Rot. Bonds4

About 5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one

5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one (PubChem CID 95719495) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one
PubChem CID95719495
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one
SMILESCOc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3cc(=O)[nH][nH]3)C2)cc1C
InChIInChI=1S/C19H23N3O4/c1-11-7-14(8-12(2)18(11)26-3)17(24)13-5-4-6-22(10-13)19(25)15-9-16(23)21-20-15/h7-9,13H,4-6,10H2,1-3H3,(H2,20,21,23)/t13-/m0/s1
InChIKeyIWDLHNSNOZIOOZ-ZDUSSCGKSA-N
XLogP2.06
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[4-(dimethylamino)benzoyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45199439
(4-methoxy-3,5-dimethylphenyl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 24793854
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]methanone
CID 95726966
[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 25279925
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42567289
5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 112513808
ethyl 2-[[3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]amino]acetate
CID 23723203
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 45178325
2-[[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 95556565
(4-methoxy-3,5-dimethylphenyl)-[1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
CID 45219638
(4-methoxy-3,5-dimethylphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45231207
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 95564061

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one (CID 95719495) is 5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one is COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3cc(=O)[nH][nH]3)C2)cc1C.
What is the InChIKey of 5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one?
The InChIKey is IWDLHNSNOZIOOZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-11-7-14(8-12(2)18(11)26-3)17(24)13-5-4-6-22(10-13)19(25)15-9-16(23)21-20-15/h7-9,13H,4-6,10H2,1-3H3,(H2,20,21,23)/t13-/m0/s1.
What are the key properties of 5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one?
5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one has a molecular weight of 357.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 95719495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).