9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine

C16H23N5 — CID 44591065

IUPAC9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine
SMILESCC1CCN(c2ncnc3c2ncn3C2CCCC2)CC1
InChIInChI=1S/C16H23N5/c1-12-6-8-20(9-7-12)15-14-16(18-10-17-15)21(11-19-14)13-4-2-3-5-13/h10-13H,2-9H2,1H3
InChIKeyUXABLTLNUQIHID-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.18
Rot. Bonds2

About 9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine

9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine (PubChem CID 44591065) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine.

Molecular Properties

Compound Name9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine
PubChem CID44591065
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine
SMILESCC1CCN(c2ncnc3c2ncn3C2CCCC2)CC1
InChIInChI=1S/C16H23N5/c1-12-6-8-20(9-7-12)15-14-16(18-10-17-15)21(11-19-14)13-4-2-3-5-13/h10-13H,2-9H2,1H3
InChIKeyUXABLTLNUQIHID-UHFFFAOYSA-N
XLogP3.18
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine 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 9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine?
The IUPAC name of 9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine (CID 44591065) is 9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine.
What is the SMILES notation for 9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine?
The canonical SMILES for 9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine is CC1CCN(c2ncnc3c2ncn3C2CCCC2)CC1.
What is the InChIKey of 9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine?
The InChIKey is UXABLTLNUQIHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-6-8-20(9-7-12)15-14-16(18-10-17-15)21(11-19-14)13-4-2-3-5-13/h10-13H,2-9H2,1H3.
What are the key properties of 9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine?
9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine has a molecular weight of 285.39 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-6-(4-methylpiperidin-1-yl)purine is sourced from PubChem (CID 44591065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).