2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide

C17H20FN3O2 — CID 108922373

IUPAC2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
SMILESN#CCC(=O)NC1CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H20FN3O2/c18-14-4-1-13(2-5-14)3-6-17(23)21-11-8-15(9-12-21)20-16(22)7-10-19/h1-2,4-5,15H,3,6-9,11-12H2,(H,20,22)
InChIKeyGJLJYUDSYSZYPM-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.78
Rot. Bonds5

About 2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide

2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide (PubChem CID 108922373) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
PubChem CID108922373
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
SMILESN#CCC(=O)NC1CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H20FN3O2/c18-14-4-1-13(2-5-14)3-6-17(23)21-11-8-15(9-12-21)20-16(22)7-10-19/h1-2,4-5,15H,3,6-9,11-12H2,(H,20,22)
InChIKeyGJLJYUDSYSZYPM-UHFFFAOYSA-N
XLogP1.78
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653
2,2,2-trifluoro-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108933023
N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide
CID 173093781
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47071577
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
CID 110819897
2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108548392
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935670
2-cyano-N-[[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]methyl]acetamide
CID 108922137
N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556445
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one;hydrochloride
CID 119644081
2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108548382
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide (CID 108922373) is 2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide is N#CCC(=O)NC1CCN(C(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of 2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide?
The InChIKey is GJLJYUDSYSZYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-14-4-1-13(2-5-14)3-6-17(23)21-11-8-15(9-12-21)20-16(22)7-10-19/h1-2,4-5,15H,3,6-9,11-12H2,(H,20,22).
What are the key properties of 2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide?
2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide has a molecular weight of 317.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108922373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).