cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone

C17H21N3O — CID 142607961

IUPACcyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccc2c(cnn2C2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C17H21N3O/c1-12-2-5-16-14(10-12)11-18-20(16)15-6-8-19(9-7-15)17(21)13-3-4-13/h2,5,10-11,13,15H,3-4,6-9H2,1H3
InChIKeyTWADEFDTGHZDRG-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.92
Rot. Bonds2

About cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone

cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone (PubChem CID 142607961) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone
PubChem CID142607961
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Namecyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccc2c(cnn2C2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C17H21N3O/c1-12-2-5-16-14(10-12)11-18-20(16)15-6-8-19(9-7-15)17(21)13-3-4-13/h2,5,10-11,13,15H,3-4,6-9H2,1H3
InChIKeyTWADEFDTGHZDRG-UHFFFAOYSA-N
XLogP2.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone (CID 142607961) is cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone is Cc1ccc2c(cnn2C2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is TWADEFDTGHZDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-2-5-16-14(10-12)11-18-20(16)15-6-8-19(9-7-15)17(21)13-3-4-13/h2,5,10-11,13,15H,3-4,6-9H2,1H3.
What are the key properties of cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone?
cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 283.37 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 142607961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).