[1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C20H26ClNO2 — CID 122255268

IUPAC[1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCOC1CC2CCC(C1)N2C(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H26ClNO2/c1-24-18-12-16-8-9-17(13-18)22(16)19(23)20(10-2-3-11-20)14-4-6-15(21)7-5-14/h4-7,16-18H,2-3,8-13H2,1H3
InChIKeyJCCLQCGFNAGFOL-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.32
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

[1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 122255268) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID122255268
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCOC1CC2CCC(C1)N2C(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H26ClNO2/c1-24-18-12-16-8-9-17(13-18)22(16)19(23)20(10-2-3-11-20)14-4-6-15(21)7-5-14/h4-7,16-18H,2-3,8-13H2,1H3
InChIKeyJCCLQCGFNAGFOL-UHFFFAOYSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-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-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 122255268) is [1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is COC1CC2CCC(C1)N2C(=O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is JCCLQCGFNAGFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO2/c1-24-18-12-16-8-9-17(13-18)22(16)19(23)20(10-2-3-11-20)14-4-6-15(21)7-5-14/h4-7,16-18H,2-3,8-13H2,1H3.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
[1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 347.89 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 122255268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).