2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide

C15H18FN3O — CID 56813394

IUPAC2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESN#Cc1ccc(CN2CCC(CC(N)=O)CC2)c(F)c1
InChIInChI=1S/C15H18FN3O/c16-14-7-12(9-17)1-2-13(14)10-19-5-3-11(4-6-19)8-15(18)20/h1-2,7,11H,3-6,8,10H2,(H2,18,20)
InChIKeyAYBVENVOQXXELP-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.78
Rot. Bonds4

About 2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide

2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 56813394) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID56813394
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESN#Cc1ccc(CN2CCC(CC(N)=O)CC2)c(F)c1
InChIInChI=1S/C15H18FN3O/c16-14-7-12(9-17)1-2-13(14)10-19-5-3-11(4-6-19)8-15(18)20/h1-2,7,11H,3-6,8,10H2,(H2,18,20)
InChIKeyAYBVENVOQXXELP-UHFFFAOYSA-N
XLogP1.78
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-acetylpiperazin-1-yl)methyl]-3-fluorobenzonitrile
CID 24698831
N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 163357727
4-(azepan-1-ylmethyl)-3-fluorobenzonitrile
CID 24711476
2-[4-[(4-cyano-2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 62823448
4-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-3-fluorobenzonitrile
CID 79736873
3-fluoro-4-[[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]methyl]benzonitrile
CID 94064168
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581
4-[[4-(cyanomethyl)piperazin-1-yl]methyl]-3-fluorobenzonitrile
CID 63336896
4-[(4-amino-3-methylpiperidin-1-yl)methyl]-3-fluorobenzonitrile
CID 79867580
2-[(4-cyano-2-fluorophenyl)methylamino]acetamide
CID 28586696
2-[4-[(4-cyano-2-fluorophenyl)methyl]piperazin-1-yl]propanoic acid
CID 62312459
2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 61009992

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide (CID 56813394) is 2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide is N#Cc1ccc(CN2CCC(CC(N)=O)CC2)c(F)c1.
What is the InChIKey of 2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is AYBVENVOQXXELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-14-7-12(9-17)1-2-13(14)10-19-5-3-11(4-6-19)8-15(18)20/h1-2,7,11H,3-6,8,10H2,(H2,18,20).
What are the key properties of 2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide?
2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 275.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 56813394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).