(1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone

C17H23N3O — CID 121479159

IUPAC(1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone
SMILESCCCN1CCCC(C(=O)c2ccc3c(cnn3C)c2)C1
InChIInChI=1S/C17H23N3O/c1-3-8-20-9-4-5-14(12-20)17(21)13-6-7-16-15(10-13)11-18-19(16)2/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3
InChIKeyXLELDBBUARCFHQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.88
Rot. Bonds4

About (1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone

(1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone (PubChem CID 121479159) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone
PubChem CID121479159
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone
SMILESCCCN1CCCC(C(=O)c2ccc3c(cnn3C)c2)C1
InChIInChI=1S/C17H23N3O/c1-3-8-20-9-4-5-14(12-20)17(21)13-6-7-16-15(10-13)11-18-19(16)2/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3
InChIKeyXLELDBBUARCFHQ-UHFFFAOYSA-N
XLogP2.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone?
The IUPAC name of (1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone (CID 121479159) is (1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone?
The canonical SMILES for (1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone is CCCN1CCCC(C(=O)c2ccc3c(cnn3C)c2)C1.
What is the InChIKey of (1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone?
The InChIKey is XLELDBBUARCFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-8-20-9-4-5-14(12-20)17(21)13-6-7-16-15(10-13)11-18-19(16)2/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3.
What are the key properties of (1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone?
(1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-5-yl)-(1-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 121479159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).