1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione

C19H25N3O2 — CID 20885388

IUPAC1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione
SMILESCc1cccc2c1cnn2C(=O)CCC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C19H25N3O2/c1-13-9-14(2)12-21(11-13)18(23)7-8-19(24)22-17-6-4-5-15(3)16(17)10-20-22/h4-6,10,13-14H,7-9,11-12H2,1-3H3
InChIKeyYUCZILXYESIAOE-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.27
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione

1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione (PubChem CID 20885388) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione
PubChem CID20885388
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione
SMILESCc1cccc2c1cnn2C(=O)CCC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C19H25N3O2/c1-13-9-14(2)12-21(11-13)18(23)7-8-19(24)22-17-6-4-5-15(3)16(17)10-20-22/h4-6,10,13-14H,7-9,11-12H2,1-3H3
InChIKeyYUCZILXYESIAOE-UHFFFAOYSA-N
XLogP3.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-ortho-tolylpyridin-2(1H)-one
CID 25205493
2-(1H-indazol-1-yl)-N,N-dimethylacetamide
CID 84583666
1-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-indazole
CID 3239674
2-Indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone
CID 5307808
N-cyclohexyl-4-(4-methyl-1H-indazol-1-yl)-4-oxobutanamide
CID 20885377
4-(5-Methyl-1H-indazol-1-YL)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 22510125
N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide
CID 22510145
4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 22510249
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-(2-oxo-1-piperidinyl)butanamide
CID 24791017
N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45270944
[4-(2,3-Dimethylphenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6464587
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]butanamide
CID 23723491

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione (CID 20885388) is 1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione is Cc1cccc2c1cnn2C(=O)CCC(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione?
The InChIKey is YUCZILXYESIAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-9-14(2)12-21(11-13)18(23)7-8-19(24)22-17-6-4-5-15(3)16(17)10-20-22/h4-6,10,13-14H,7-9,11-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione?
1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione has a molecular weight of 327.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione is sourced from PubChem (CID 20885388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).