1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide

C15H18FN3O — CID 103760645

IUPAC1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cc(F)ccc1C#N
InChIInChI=1S/C15H18FN3O/c1-18-15(20)14-4-2-3-7-19(14)10-12-8-13(16)6-5-11(12)9-17/h5-6,8,14H,2-4,7,10H2,1H3,(H,18,20)
InChIKeyFIONQUKKNJTSPK-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.80
Rot. Bonds3

About 1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide

1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 103760645) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID103760645
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cc(F)ccc1C#N
InChIInChI=1S/C15H18FN3O/c1-18-15(20)14-4-2-3-7-19(14)10-12-8-13(16)6-5-11(12)9-17/h5-6,8,14H,2-4,7,10H2,1H3,(H,18,20)
InChIKeyFIONQUKKNJTSPK-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-cyano-5-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 64770279
1-[(2-amino-4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 64770558
methyl 2-[(2S)-1-[(2-cyano-5-fluorophenyl)methyl]pyrrolidin-2-yl]acetate
CID 129397792
methyl 2-[(2R)-1-[(2-cyano-5-fluorophenyl)methyl]pyrrolidin-2-yl]acetate
CID 129397793
4-fluoro-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
CID 64764855
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
1-[(2-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745130
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62035887
1-[(3-fluoro-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112616195
1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985657
1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 79673021

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 103760645) is 1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1Cc1cc(F)ccc1C#N.
What is the InChIKey of 1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is FIONQUKKNJTSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-18-15(20)14-4-2-3-7-19(14)10-12-8-13(16)6-5-11(12)9-17/h5-6,8,14H,2-4,7,10H2,1H3,(H,18,20).
What are the key properties of 1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 103760645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).