2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide

C20H25F2N3O4 — CID 10201551

IUPAC2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide
SMILESN#CC1(c2ccc(OC(F)F)c(OC3CCCC3)c2)CCN(CC(=O)NO)CC1
InChIInChI=1S/C20H25F2N3O4/c21-19(22)29-16-6-5-14(11-17(16)28-15-3-1-2-4-15)20(13-23)7-9-25(10-8-20)12-18(26)24-27/h5-6,11,15,19,27H,1-4,7-10,12H2,(H,24,26)
InChIKeyAWTHUFZDVFPXSS-UHFFFAOYSA-N
MW409.43 g/mol
LogP2.97
Rot. Bonds7

About 2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide

2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide (PubChem CID 10201551) has the molecular formula C20H25F2N3O4 and a molecular weight of 409.43 g/mol. Its IUPAC name is 2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide
PubChem CID10201551
Molecular FormulaC20H25F2N3O4
Molecular Weight409.43 g/mol
Exact Mass409.18
IUPAC Name2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide
SMILESN#CC1(c2ccc(OC(F)F)c(OC3CCCC3)c2)CCN(CC(=O)NO)CC1
InChIInChI=1S/C20H25F2N3O4/c21-19(22)29-16-6-5-14(11-17(16)28-15-3-1-2-4-15)20(13-23)7-9-25(10-8-20)12-18(26)24-27/h5-6,11,15,19,27H,1-4,7-10,12H2,(H,24,26)
InChIKeyAWTHUFZDVFPXSS-UHFFFAOYSA-N
XLogP2.97
TPSA94.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide (CID 10201551) is 2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide is N#CC1(c2ccc(OC(F)F)c(OC3CCCC3)c2)CCN(CC(=O)NO)CC1.
What is the InChIKey of 2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide?
The InChIKey is AWTHUFZDVFPXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O4/c21-19(22)29-16-6-5-14(11-17(16)28-15-3-1-2-4-15)20(13-23)7-9-25(10-8-20)12-18(26)24-27/h5-6,11,15,19,27H,1-4,7-10,12H2,(H,24,26).
What are the key properties of 2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide?
2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide has a molecular weight of 409.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]piperidin-1-yl]-N-hydroxyacetamide is sourced from PubChem (CID 10201551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).