2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide

C16H19F2N3O — CID 175649231

IUPAC2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
SMILESN#Cc1ccc(N2CCC(CC(=O)NCC(F)F)CC2)cc1
InChIInChI=1S/C16H19F2N3O/c17-15(18)11-20-16(22)9-12-5-7-21(8-6-12)14-3-1-13(10-19)2-4-14/h1-4,12,15H,5-9,11H2,(H,20,22)
InChIKeyRKIYHMCZSYZDAW-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.55
Rot. Bonds5

About 2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide

2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide (PubChem CID 175649231) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
PubChem CID175649231
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
SMILESN#Cc1ccc(N2CCC(CC(=O)NCC(F)F)CC2)cc1
InChIInChI=1S/C16H19F2N3O/c17-15(18)11-20-16(22)9-12-5-7-21(8-6-12)14-3-1-13(10-19)2-4-14/h1-4,12,15H,5-9,11H2,(H,20,22)
InChIKeyRKIYHMCZSYZDAW-UHFFFAOYSA-N
XLogP2.55
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(benzenesulfonamido)-3-[[2-[1-(4-cyanophenyl)piperidin-4-yl]acetyl]amino]propanoate
CID 54129813
4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile
CID 57442407
2-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175648562
4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile
CID 167961946
2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175648477
N-(2,2-difluoroethyl)-2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 175648431
N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 175648415
N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide
CID 175650359
(2S)-2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]hexanoic acid
CID 122044649
N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide
CID 175649058
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-(3-hydroxybutyl)urea
CID 111337334
N-[1-(4-cyanophenyl)piperidin-4-yl]-4,4,4-trifluoro-3-phenylbutanamide
CID 86888022

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide?
The IUPAC name of 2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide (CID 175649231) is 2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide?
The canonical SMILES for 2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide is N#Cc1ccc(N2CCC(CC(=O)NCC(F)F)CC2)cc1.
What is the InChIKey of 2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide?
The InChIKey is RKIYHMCZSYZDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c17-15(18)11-20-16(22)9-12-5-7-21(8-6-12)14-3-1-13(10-19)2-4-14/h1-4,12,15H,5-9,11H2,(H,20,22).
What are the key properties of 2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide?
2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide has a molecular weight of 307.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide is sourced from PubChem (CID 175649231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).