cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone

C18H22N4O2 — CID 38391854

IUPACcyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H22N4O2/c23-17(13-5-1-2-6-13)21-9-11-22(12-10-21)18(24)16-14-7-3-4-8-15(14)19-20-16/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,19,20)
InChIKeyBYOCTQZAKDMZSE-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.04
Rot. Bonds2

About cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone

cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 38391854) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID38391854
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Namecyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H22N4O2/c23-17(13-5-1-2-6-13)21-9-11-22(12-10-21)18(24)16-14-7-3-4-8-15(14)19-20-16/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,19,20)
InChIKeyBYOCTQZAKDMZSE-UHFFFAOYSA-N
XLogP2.04
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-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 cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone (CID 38391854) is cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone is O=C(c1n[nH]c2ccccc12)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is BYOCTQZAKDMZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(13-5-1-2-6-13)21-9-11-22(12-10-21)18(24)16-14-7-3-4-8-15(14)19-20-16/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,19,20).
What are the key properties of cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone?
cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 38391854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).