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

C15H18FN3O — CID 60945392

IUPACN-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCN(Cc1cc(C#N)ccc1F)C(=O)C1CCCCN1
InChIInChI=1S/C15H18FN3O/c1-19(15(20)14-4-2-3-7-18-14)10-12-8-11(9-17)5-6-13(12)16/h5-6,8,14,18H,2-4,7,10H2,1H3
InChIKeyYOPGMPXCEXPLHR-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.80
Rot. Bonds3

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

N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 60945392) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID60945392
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCN(Cc1cc(C#N)ccc1F)C(=O)C1CCCCN1
InChIInChI=1S/C15H18FN3O/c1-19(15(20)14-4-2-3-7-18-14)10-12-8-11(9-17)5-6-13(12)16/h5-6,8,14,18H,2-4,7,10H2,1H3
InChIKeyYOPGMPXCEXPLHR-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

(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61164507
N-[(3-cyanophenyl)methyl]-N-methylazepane-2-carboxamide
CID 64561888
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61365245
N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 42890905
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104900946
(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93369186
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 35380970
N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115159785
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367483

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 60945392) is N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide is CN(Cc1cc(C#N)ccc1F)C(=O)C1CCCCN1.
What is the InChIKey of N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is YOPGMPXCEXPLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-19(15(20)14-4-2-3-7-18-14)10-12-8-11(9-17)5-6-13(12)16/h5-6,8,14,18H,2-4,7,10H2,1H3.
What are the key properties of N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
N-[(5-cyano-2-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 N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 60945392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).