N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide

C12H19F2N3O — CID 173125803

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide
SMILESCN1CCC(C#N)(NC(=O)CCC(C)(F)F)CC1
InChIInChI=1S/C12H19F2N3O/c1-11(13,14)4-3-10(18)16-12(9-15)5-7-17(2)8-6-12/h3-8H2,1-2H3,(H,16,18)
InChIKeyPBFDBPVXKBKERE-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.53
Rot. Bonds4

About N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide

N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide (PubChem CID 173125803) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide
PubChem CID173125803
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide
SMILESCN1CCC(C#N)(NC(=O)CCC(C)(F)F)CC1
InChIInChI=1S/C12H19F2N3O/c1-11(13,14)4-3-10(18)16-12(9-15)5-7-17(2)8-6-12/h3-8H2,1-2H3,(H,16,18)
InChIKeyPBFDBPVXKBKERE-UHFFFAOYSA-N
XLogP1.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanamide
CID 68151863
(2S)-2-amino-N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide
CID 68151926
N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide
CID 134435194
N-(1,4-dimethylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 134435830
3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide
CID 134505506
N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide;ethane
CID 142327102
N-(1,4-dimethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 145107933
N-(1-ethyl-4-methylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 146322488
N-(1-ethyl-4-methylpiperidin-4-yl)-3,3,3-trifluoropropanamide
CID 169831902
N,1-ditert-butyl-3,3-difluoropiperidine-4-carboxamide
CID 171406675
N'-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoroheptanediamide
CID 173125656
N'-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoropentanediamide
CID 173125815

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide (CID 173125803) is N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide is CN1CCC(C#N)(NC(=O)CCC(C)(F)F)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide?
The InChIKey is PBFDBPVXKBKERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-11(13,14)4-3-10(18)16-12(9-15)5-7-17(2)8-6-12/h3-8H2,1-2H3,(H,16,18).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide?
N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide has a molecular weight of 259.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-4,4-difluoropentanamide is sourced from PubChem (CID 173125803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).