N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide

C14H22F2N4O2 — CID 173125656

IUPACN'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide
SMILESCN1CCC(C#N)(NC(=O)CCC(F)(F)CCC(N)=O)CC1
InChIInChI=1S/C14H22F2N4O2/c1-20-8-6-13(10-17,7-9-20)19-12(22)3-5-14(15,16)4-2-11(18)21/h2-9H2,1H3,(H2,18,21)(H,19,22)
InChIKeyJWSHCMUOPYVTKW-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.77
Rot. Bonds7

About N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide

N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide (PubChem CID 173125656) has the molecular formula C14H22F2N4O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide.

Molecular Properties

Compound NameN'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide
PubChem CID173125656
Molecular FormulaC14H22F2N4O2
Molecular Weight316.35 g/mol
Exact Mass316.17
IUPAC NameN'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide
SMILESCN1CCC(C#N)(NC(=O)CCC(F)(F)CCC(N)=O)CC1
InChIInChI=1S/C14H22F2N4O2/c1-20-8-6-13(10-17,7-9-20)19-12(22)3-5-14(15,16)4-2-11(18)21/h2-9H2,1H3,(H2,18,21)(H,19,22)
InChIKeyJWSHCMUOPYVTKW-UHFFFAOYSA-N
XLogP0.77
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide?
The IUPAC name of N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide (CID 173125656) is N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide.
What is the SMILES notation for N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide?
The canonical SMILES for N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide is CN1CCC(C#N)(NC(=O)CCC(F)(F)CCC(N)=O)CC1.
What is the InChIKey of N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide?
The InChIKey is JWSHCMUOPYVTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O2/c1-20-8-6-13(10-17,7-9-20)19-12(22)3-5-14(15,16)4-2-11(18)21/h2-9H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide?
N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide has a molecular weight of 316.35 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide is sourced from PubChem (CID 173125656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).