1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide

C21H25FN2O — CID 75455668

IUPAC1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1(C)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN2O/c1-16-14-18(22)8-9-19(16)23-20(25)21(2)10-12-24(13-11-21)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,25)
InChIKeyLUKAMPQEXFMYSY-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.37
Rot. Bonds4

About 1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide

1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide (PubChem CID 75455668) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
PubChem CID75455668
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1(C)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25FN2O/c1-16-14-18(22)8-9-19(16)23-20(25)21(2)10-12-24(13-11-21)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,25)
InChIKeyLUKAMPQEXFMYSY-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide (CID 75455668) is 1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide is Cc1cc(F)ccc1NC(=O)C1(C)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide?
The InChIKey is LUKAMPQEXFMYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-16-14-18(22)8-9-19(16)23-20(25)21(2)10-12-24(13-11-21)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,25).
What are the key properties of 1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide?
1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide has a molecular weight of 340.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 75455668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).