2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide

C15H18FN3O — CID 168523364

IUPAC2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(F)cc2NC(=O)CC#N)CC1
InChIInChI=1S/C15H18FN3O/c1-11-5-8-19(9-6-11)14-3-2-12(16)10-13(14)18-15(20)4-7-17/h2-3,10-11H,4-6,8-9H2,1H3,(H,18,20)
InChIKeyDHQDKKSRLXFNKD-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.91
Rot. Bonds3

About 2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide

2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 168523364) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID168523364
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(F)cc2NC(=O)CC#N)CC1
InChIInChI=1S/C15H18FN3O/c1-11-5-8-19(9-6-11)14-3-2-12(16)10-13(14)18-15(20)4-7-17/h2-3,10-11H,4-6,8-9H2,1H3,(H,18,20)
InChIKeyDHQDKKSRLXFNKD-UHFFFAOYSA-N
XLogP2.91
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168520629
2-cyano-N-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 168521227
tert-butyl N-[1-[2-[(2-cyanoacetyl)amino]-4-fluorophenyl]pyrrolidin-3-yl]carbamate
CID 168522528
5-fluoro-2-(4-methylpiperidin-1-yl)benzoic acid
CID 43312941
N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide
CID 168520953
2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide
CID 168523631
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
2-cyano-N-(2-cyclopentyloxy-5-fluorophenyl)acetamide
CID 168522226
2-[5-fluoro-2-(3-methylpiperidin-1-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607037
N-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]-3-methylbenzamide
CID 167926200
2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 168520642

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide (CID 168523364) is 2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide is CC1CCN(c2ccc(F)cc2NC(=O)CC#N)CC1.
What is the InChIKey of 2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is DHQDKKSRLXFNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-11-5-8-19(9-6-11)14-3-2-12(16)10-13(14)18-15(20)4-7-17/h2-3,10-11H,4-6,8-9H2,1H3,(H,18,20).
What are the key properties of 2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide?
2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 275.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 168523364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).