4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide

C14H19FN2O — CID 79689814

IUPAC4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CC(c2cc(C)cc(F)c2)CCN1
InChIInChI=1S/C14H19FN2O/c1-9-5-11(7-12(15)6-9)10-3-4-17-13(8-10)14(18)16-2/h5-7,10,13,17H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyVLLZRRXWHONDSI-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.72
Rot. Bonds2

About 4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide

4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide (PubChem CID 79689814) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide
PubChem CID79689814
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CC(c2cc(C)cc(F)c2)CCN1
InChIInChI=1S/C14H19FN2O/c1-9-5-11(7-12(15)6-9)10-3-4-17-13(8-10)14(18)16-2/h5-7,10,13,17H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyVLLZRRXWHONDSI-UHFFFAOYSA-N
XLogP1.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide (CID 79689814) is 4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CC(c2cc(C)cc(F)c2)CCN1.
What is the InChIKey of 4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is VLLZRRXWHONDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-5-11(7-12(15)6-9)10-3-4-17-13(8-10)14(18)16-2/h5-7,10,13,17H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of 4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide?
4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylphenyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 79689814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).