4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile

C24H23F2N3O2 — CID 168866228

IUPAC4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile
SMILESCOC1=CC=CCN1c1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C24H23F2N3O2/c1-30-24-4-2-3-11-29(24)22-14-17(16-27)5-7-21(22)28-12-9-19(10-13-28)31-23-8-6-18(25)15-20(23)26/h2-8,14-15,19H,9-13H2,1H3
InChIKeyLMTUJTCQZCPGGA-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.75
Rot. Bonds5

About 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile

4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile (PubChem CID 168866228) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile
PubChem CID168866228
Molecular FormulaC24H23F2N3O2
Molecular Weight423.46 g/mol
Exact Mass423.18
IUPAC Name4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile
SMILESCOC1=CC=CCN1c1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C24H23F2N3O2/c1-30-24-4-2-3-11-29(24)22-14-17(16-27)5-7-21(22)28-12-9-19(10-13-28)31-23-8-6-18(25)15-20(23)26/h2-8,14-15,19H,9-13H2,1H3
InChIKeyLMTUJTCQZCPGGA-UHFFFAOYSA-N
XLogP4.75
TPSA48.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(2-methyl-2H-1,3-oxazol-3-yl)benzonitrile
CID 168866242
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(2-methyl-2H-pyrimidin-1-yl)benzonitrile
CID 168866224
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(5-methyl-2H-1,3-oxazol-3-yl)benzonitrile
CID 168866230
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4,5-difluoro-2-methoxybenzamide
CID 151568344
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxy-5-methylbenzamide
CID 150407559
N-[4-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxypyridine-3-carboxamide
CID 151702106
3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide
CID 150558628
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-1,2-thiazole-3-carboxamide
CID 151939823
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 135349309
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 148777956
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
CID 154833904
methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate
CID 150983150

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile?
The IUPAC name of 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile (CID 168866228) is 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile.
What is the SMILES notation for 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile?
The canonical SMILES for 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile is COC1=CC=CCN1c1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile?
The InChIKey is LMTUJTCQZCPGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2/c1-30-24-4-2-3-11-29(24)22-14-17(16-27)5-7-21(22)28-12-9-19(10-13-28)31-23-8-6-18(25)15-20(23)26/h2-8,14-15,19H,9-13H2,1H3.
What are the key properties of 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile?
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile has a molecular weight of 423.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(6-methoxy-2H-pyridin-1-yl)benzonitrile is sourced from PubChem (CID 168866228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).