1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione

C18H23N3O2 — CID 6625613

IUPAC1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione
SMILESCc1ccc2c(cnn2C(=O)CCC(=O)N2CCCCC2C)c1
InChIInChI=1S/C18H23N3O2/c1-13-6-7-16-15(11-13)12-19-21(16)18(23)9-8-17(22)20-10-4-3-5-14(20)2/h6-7,11-12,14H,3-5,8-10H2,1-2H3
InChIKeyCTQDKWULBCUDKX-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.17
Rot. Bonds3

About 1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione

1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione (PubChem CID 6625613) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione
PubChem CID6625613
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione
SMILESCc1ccc2c(cnn2C(=O)CCC(=O)N2CCCCC2C)c1
InChIInChI=1S/C18H23N3O2/c1-13-6-7-16-15(11-13)12-19-21(16)18(23)9-8-17(22)20-10-4-3-5-14(20)2/h6-7,11-12,14H,3-5,8-10H2,1-2H3
InChIKeyCTQDKWULBCUDKX-UHFFFAOYSA-N
XLogP3.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850704
2-(1H-indazol-1-yl)-N-mesitylacetamide
CID 20885360
N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45269261
7-(1-Ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89741432
2-(1H-indazol-1-yl)-N,N-dimethylacetamide
CID 84583666
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
1-(3,5-Dimethylpiperidin-1-yl)-4-(4-methylindazol-1-yl)butane-1,4-dione
CID 20885388
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
N-[(3-bromophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide
CID 22510176
N-[(2-Chlorophenyl)methyl]-4-(5-methyl-1H-indazol-1-YL)-4-oxobutanamide
CID 22510178

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione?
The IUPAC name of 1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione (CID 6625613) is 1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione.
What is the SMILES notation for 1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione?
The canonical SMILES for 1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione is Cc1ccc2c(cnn2C(=O)CCC(=O)N2CCCCC2C)c1.
What is the InChIKey of 1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione?
The InChIKey is CTQDKWULBCUDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-6-7-16-15(11-13)12-19-21(16)18(23)9-8-17(22)20-10-4-3-5-14(20)2/h6-7,11-12,14H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione?
1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione has a molecular weight of 313.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylindazol-1-yl)-4-(2-methylpiperidin-1-yl)butane-1,4-dione is sourced from PubChem (CID 6625613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).