N'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide

C12H18F2N4O2 — CID 173125815

IUPACN'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide
SMILESCN1CCC(C#N)(NC(=O)CCC(F)(F)C(N)=O)CC1
InChIInChI=1S/C12H18F2N4O2/c1-18-6-4-11(8-15,5-7-18)17-9(19)2-3-12(13,14)10(16)20/h2-7H2,1H3,(H2,16,20)(H,17,19)
InChIKeyNUABWXSQKMXWTO-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.01
Rot. Bonds5

About N'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide

N'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide (PubChem CID 173125815) has the molecular formula C12H18F2N4O2 and a molecular weight of 288.30 g/mol. Its IUPAC name is N'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide.

Molecular Properties

Compound NameN'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide
PubChem CID173125815
Molecular FormulaC12H18F2N4O2
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC NameN'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide
SMILESCN1CCC(C#N)(NC(=O)CCC(F)(F)C(N)=O)CC1
InChIInChI=1S/C12H18F2N4O2/c1-18-6-4-11(8-15,5-7-18)17-9(19)2-3-12(13,14)10(16)20/h2-7H2,1H3,(H2,16,20)(H,17,19)
InChIKeyNUABWXSQKMXWTO-UHFFFAOYSA-N
XLogP-0.01
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide
CID 68151926
N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide
CID 173125656
N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide
CID 173125803
N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide
CID 54904453
N-(4-cyano-1-methylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 55139322
N-(4-cyano-1-methylpiperidin-4-yl)-4,4,4-trifluorobutanamide
CID 65712158
N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309840
N-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103513736
N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3,3-pentafluoropropanamide
CID 108092554
N-(2-cyanopropan-2-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110429112
N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide
CID 113251046
N'-(4-cyano-1-propan-2-ylpiperidin-4-yl)-2,2-dimethylpentanediamide
CID 22063099

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide?
The IUPAC name of N'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide (CID 173125815) is N'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide.
What is the SMILES notation for N'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide?
The canonical SMILES for N'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide is CN1CCC(C#N)(NC(=O)CCC(F)(F)C(N)=O)CC1.
What is the InChIKey of N'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide?
The InChIKey is NUABWXSQKMXWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O2/c1-18-6-4-11(8-15,5-7-18)17-9(19)2-3-12(13,14)10(16)20/h2-7H2,1H3,(H2,16,20)(H,17,19).
What are the key properties of N'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide?
N'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide has a molecular weight of 288.30 g/mol, XLogP of -0.01, 5 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)-2,2-difluoropentanediamide is sourced from PubChem (CID 173125815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).