N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide

C16H23FN2O — CID 106781844

IUPACN-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide
SMILESCCNC(=O)C1CC(Cc2cc(F)ccc2C)CCN1
InChIInChI=1S/C16H23FN2O/c1-3-18-16(20)15-9-12(6-7-19-15)8-13-10-14(17)5-4-11(13)2/h4-5,10,12,15,19H,3,6-9H2,1-2H3,(H,18,20)
InChIKeyDGYYWCIJTPYFCR-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.18
Rot. Bonds4

About N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide

N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 106781844) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide
PubChem CID106781844
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide
SMILESCCNC(=O)C1CC(Cc2cc(F)ccc2C)CCN1
InChIInChI=1S/C16H23FN2O/c1-3-18-16(20)15-9-12(6-7-19-15)8-13-10-14(17)5-4-11(13)2/h4-5,10,12,15,19H,3,6-9H2,1-2H3,(H,18,20)
InChIKeyDGYYWCIJTPYFCR-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 106781871
N-ethyl-4-[(2-fluorophenyl)methyl]piperidine-2-carboxamide
CID 106777776
N-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidine-2-carboxamide
CID 106778270
4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 106777885
4-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 114427828
2-[(3-chlorocyclopentyl)methyl]-4-fluoro-1-methylbenzene
CID 105375583
4-(2-cyclopropylethyl)-N-ethylpiperidine-2-carboxamide
CID 106779884
4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 106781146
4-ethyl-N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 114428947
4-ethyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 106260831
N-(2-ethoxy-4-fluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428305
4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 106781147

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide (CID 106781844) is N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide is CCNC(=O)C1CC(Cc2cc(F)ccc2C)CCN1.
What is the InChIKey of N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is DGYYWCIJTPYFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-18-16(20)15-9-12(6-7-19-15)8-13-10-14(17)5-4-11(13)2/h4-5,10,12,15,19H,3,6-9H2,1-2H3,(H,18,20).
What are the key properties of N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide?
N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 106781844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).