1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one

C22H28N2O3 — CID 162653341

IUPAC1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one
SMILESCOc1cn(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)ccc1=O
InChIInChI=1S/C22H28N2O3/c1-26-22-16-24(15-12-21(22)25)18-6-8-19(9-7-18)27-20-10-13-23(14-11-20)17-4-2-3-5-17/h6-9,12,15-17,20H,2-5,10-11,13-14H2,1H3
InChIKeyCZAWVRAIDMVXDB-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.63
Rot. Bonds5

About 1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one

1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one (PubChem CID 162653341) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one.

Molecular Properties

Compound Name1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one
PubChem CID162653341
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one
SMILESCOc1cn(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)ccc1=O
InChIInChI=1S/C22H28N2O3/c1-26-22-16-24(15-12-21(22)25)18-6-8-19(9-7-18)27-20-10-13-23(14-11-20)17-4-2-3-5-17/h6-9,12,15-17,20H,2-5,10-11,13-14H2,1H3
InChIKeyCZAWVRAIDMVXDB-UHFFFAOYSA-N
XLogP3.63
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one 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-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one?
The IUPAC name of 1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one (CID 162653341) is 1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one.
What is the SMILES notation for 1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one?
The canonical SMILES for 1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one is COc1cn(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)ccc1=O.
What is the InChIKey of 1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one?
The InChIKey is CZAWVRAIDMVXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-22-16-24(15-12-21(22)25)18-6-8-19(9-7-18)27-20-10-13-23(14-11-20)17-4-2-3-5-17/h6-9,12,15-17,20H,2-5,10-11,13-14H2,1H3.
What are the key properties of 1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one?
1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one has a molecular weight of 368.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methoxypyridin-4-one is sourced from PubChem (CID 162653341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).