N-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide

C14H19FN2O — CID 6469181

IUPACN-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C14H19FN2O/c1-10-7-11(2)9-17(8-10)14(18)16-13-6-4-3-5-12(13)15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)
InChIKeyMLSCDEKVQLXLII-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.34
Rot. Bonds1

About N-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide

N-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 6469181) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide
PubChem CID6469181
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C14H19FN2O/c1-10-7-11(2)9-17(8-10)14(18)16-13-6-4-3-5-12(13)15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)
InChIKeyMLSCDEKVQLXLII-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide (CID 6469181) is N-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide is CC1CC(C)CN(C(=O)Nc2ccccc2F)C1.
What is the InChIKey of N-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is MLSCDEKVQLXLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-7-11(2)9-17(8-10)14(18)16-13-6-4-3-5-12(13)15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18).
What are the key properties of N-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide?
N-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 6469181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).