N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide

C19H23F2N3O — CID 100690921

IUPACN-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide
SMILESN#Cc1cc(F)c(N2CCC(NC(=O)CC3CCCC3)CC2)c(F)c1
InChIInChI=1S/C19H23F2N3O/c20-16-9-14(12-22)10-17(21)19(16)24-7-5-15(6-8-24)23-18(25)11-13-3-1-2-4-13/h9-10,13,15H,1-8,11H2,(H,23,25)
InChIKeyCWXBIAHCKVJTPD-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.50
Rot. Bonds4

About N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide

N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide (PubChem CID 100690921) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide
PubChem CID100690921
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC NameN-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide
SMILESN#Cc1cc(F)c(N2CCC(NC(=O)CC3CCCC3)CC2)c(F)c1
InChIInChI=1S/C19H23F2N3O/c20-16-9-14(12-22)10-17(21)19(16)24-7-5-15(6-8-24)23-18(25)11-13-3-1-2-4-13/h9-10,13,15H,1-8,11H2,(H,23,25)
InChIKeyCWXBIAHCKVJTPD-UHFFFAOYSA-N
XLogP3.50
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide?
The IUPAC name of N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide (CID 100690921) is N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide is N#Cc1cc(F)c(N2CCC(NC(=O)CC3CCCC3)CC2)c(F)c1.
What is the InChIKey of N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide?
The InChIKey is CWXBIAHCKVJTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c20-16-9-14(12-22)10-17(21)19(16)24-7-5-15(6-8-24)23-18(25)11-13-3-1-2-4-13/h9-10,13,15H,1-8,11H2,(H,23,25).
What are the key properties of N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide?
N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide has a molecular weight of 347.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyano-2,6-difluorophenyl)piperidin-4-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 100690921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).