4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile

C18H22F2N2O3 — CID 142272324

IUPAC4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile
SMILESN#CC1(c2ccc(OC(F)F)c(OC3CCCC3)c2)CCN(O)CC1
InChIInChI=1S/C18H22F2N2O3/c19-17(20)25-15-6-5-13(11-16(15)24-14-3-1-2-4-14)18(12-21)7-9-22(23)10-8-18/h5-6,11,14,17,23H,1-4,7-10H2
InChIKeyDVCNYSJIJMURQU-UHFFFAOYSA-N
MW352.38 g/mol
LogP3.86
Rot. Bonds5

About 4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile

4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile (PubChem CID 142272324) has the molecular formula C18H22F2N2O3 and a molecular weight of 352.38 g/mol. Its IUPAC name is 4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile
PubChem CID142272324
Molecular FormulaC18H22F2N2O3
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile
SMILESN#CC1(c2ccc(OC(F)F)c(OC3CCCC3)c2)CCN(O)CC1
InChIInChI=1S/C18H22F2N2O3/c19-17(20)25-15-6-5-13(11-16(15)24-14-3-1-2-4-14)18(12-21)7-9-22(23)10-8-18/h5-6,11,14,17,23H,1-4,7-10H2
InChIKeyDVCNYSJIJMURQU-UHFFFAOYSA-N
XLogP3.86
TPSA65.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile 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 4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile?
The IUPAC name of 4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile (CID 142272324) is 4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile.
What is the SMILES notation for 4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile?
The canonical SMILES for 4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile is N#CC1(c2ccc(OC(F)F)c(OC3CCCC3)c2)CCN(O)CC1.
What is the InChIKey of 4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile?
The InChIKey is DVCNYSJIJMURQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O3/c19-17(20)25-15-6-5-13(11-16(15)24-14-3-1-2-4-14)18(12-21)7-9-22(23)10-8-18/h5-6,11,14,17,23H,1-4,7-10H2.
What are the key properties of 4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile?
4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile has a molecular weight of 352.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile is sourced from PubChem (CID 142272324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).