5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one

C21H25F2N3O2 — CID 11153482

IUPAC5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one
SMILESO=c1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)nc2)cn1C(F)F
InChIInChI=1S/C21H25F2N3O2/c22-21(23)26-14-16(6-8-20(26)27)15-5-7-19(24-13-15)28-18-9-11-25(12-10-18)17-3-1-2-4-17/h5-8,13-14,17-18,21H,1-4,9-12H2
InChIKeyYJZSACCTRAQBMZ-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.09
Rot. Bonds5

About 5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one

5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one (PubChem CID 11153482) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one
PubChem CID11153482
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC Name5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one
SMILESO=c1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)nc2)cn1C(F)F
InChIInChI=1S/C21H25F2N3O2/c22-21(23)26-14-16(6-8-20(26)27)15-5-7-19(24-13-15)28-18-9-11-25(12-10-18)17-3-1-2-4-17/h5-8,13-14,17-18,21H,1-4,9-12H2
InChIKeyYJZSACCTRAQBMZ-UHFFFAOYSA-N
XLogP4.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-4,4-dimethyl-2,5-dihydropyridin-3-one
CID 58522845
6-(1-cyclobutylpiperidin-4-yl)oxy-N-phenylpyridin-3-amine
CID 66784320
5-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]-1H-pyridin-2-one
CID 11371220
4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-propan-2-ylpyridin-2-one
CID 11710659
(E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one
CID 73295363
3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one
CID 90042227
3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one
CID 59830596
3-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-1H-pyridazin-6-one
CID 44540998
5-(4-fluorophenyl)-2-piperidin-4-yloxypyridine
CID 22646730
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522853
5-[4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]phenyl]-3-methyl-1,2,4-oxadiazole
CID 11281186
6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522827

Frequently Asked Questions

What is the IUPAC name of 5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one?
The IUPAC name of 5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one (CID 11153482) is 5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one?
The canonical SMILES for 5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one is O=c1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)nc2)cn1C(F)F.
What is the InChIKey of 5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one?
The InChIKey is YJZSACCTRAQBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c22-21(23)26-14-16(6-8-20(26)27)15-5-7-19(24-13-15)28-18-9-11-25(12-10-18)17-3-1-2-4-17/h5-8,13-14,17-18,21H,1-4,9-12H2.
What are the key properties of 5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one?
5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one has a molecular weight of 389.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one is sourced from PubChem (CID 11153482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).