3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one

C23H28ClFN2O2 — CID 59830596

IUPAC3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one
SMILESCC(F)n1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)c(Cl)c1=O
InChIInChI=1S/C23H28ClFN2O2/c1-16(25)27-15-12-21(22(24)23(27)28)17-6-8-19(9-7-17)29-20-10-13-26(14-11-20)18-4-2-3-5-18/h6-9,12,15-16,18,20H,2-5,10-11,13-14H2,1H3
InChIKeyMVBLWSWOUGATHE-UHFFFAOYSA-N
MW418.94 g/mol
LogP5.44
Rot. Bonds5

About 3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one

3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one (PubChem CID 59830596) has the molecular formula C23H28ClFN2O2 and a molecular weight of 418.94 g/mol. Its IUPAC name is 3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one
PubChem CID59830596
Molecular FormulaC23H28ClFN2O2
Molecular Weight418.94 g/mol
Exact Mass418.18
IUPAC Name3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one
SMILESCC(F)n1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)c(Cl)c1=O
InChIInChI=1S/C23H28ClFN2O2/c1-16(25)27-15-12-21(22(24)23(27)28)17-6-8-19(9-7-17)29-20-10-13-26(14-11-20)18-4-2-3-5-18/h6-9,12,15-16,18,20H,2-5,10-11,13-14H2,1H3
InChIKeyMVBLWSWOUGATHE-UHFFFAOYSA-N
XLogP5.44
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.94
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one with MolForge

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Related Compounds

4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-propan-2-ylpyridin-2-one
CID 11710659
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
CID 68789971
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522853
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one
CID 66784665
2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide
CID 142798153
2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione
CID 67243853
3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one
CID 24993806
5-[6-(1-cyclopentylpiperidin-4-yl)oxy-3-pyridinyl]-1-(difluoromethyl)pyridin-2-one
CID 11153482
5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one
CID 24996645
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 59651877
4-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 127036360

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one?
The IUPAC name of 3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one (CID 59830596) is 3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one?
The canonical SMILES for 3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one is CC(F)n1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)c(Cl)c1=O.
What is the InChIKey of 3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one?
The InChIKey is MVBLWSWOUGATHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN2O2/c1-16(25)27-15-12-21(22(24)23(27)28)17-6-8-19(9-7-17)29-20-10-13-26(14-11-20)18-4-2-3-5-18/h6-9,12,15-16,18,20H,2-5,10-11,13-14H2,1H3.
What are the key properties of 3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one?
3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one has a molecular weight of 418.94 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one is sourced from PubChem (CID 59830596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).