N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide

C14H19FN2O — CID 55176835

IUPACN-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCc2ccccc2F)CCCNC1
InChIInChI=1S/C14H19FN2O/c1-14(7-4-8-16-10-14)13(18)17-9-11-5-2-3-6-12(11)15/h2-3,5-6,16H,4,7-10H2,1H3,(H,17,18)
InChIKeyOOOADEADCIYUEZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.83
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide

N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide (PubChem CID 55176835) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
PubChem CID55176835
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCc2ccccc2F)CCCNC1
InChIInChI=1S/C14H19FN2O/c1-14(7-4-8-16-10-14)13(18)17-9-11-5-2-3-6-12(11)15/h2-3,5-6,16H,4,7-10H2,1H3,(H,17,18)
InChIKeyOOOADEADCIYUEZ-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55236472
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63130668
N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63140593
N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979559
3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 86784301
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119835459
3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119944132

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide (CID 55176835) is N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide is CC1(C(=O)NCc2ccccc2F)CCCNC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is OOOADEADCIYUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(7-4-8-16-10-14)13(18)17-9-11-5-2-3-6-12(11)15/h2-3,5-6,16H,4,7-10H2,1H3,(H,17,18).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 55176835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).