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

C16H23FN2O — CID 108900039

IUPACN-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)NCCc2ccccc2F)C1
InChIInChI=1S/C16H23FN2O/c1-12-9-13(2)11-19(10-12)16(20)18-8-7-14-5-3-4-6-15(14)17/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)
InChIKeyJZUJXFQSXOUAIL-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.06
Rot. Bonds3

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

N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 108900039) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
PubChem CID108900039
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)NCCc2ccccc2F)C1
InChIInChI=1S/C16H23FN2O/c1-12-9-13(2)11-19(10-12)16(20)18-8-7-14-5-3-4-6-15(14)17/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)
InChIKeyJZUJXFQSXOUAIL-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123692
4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113103417
N-[2-(2-fluorophenyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895026
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
3,5-dimethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 47128142
4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109024
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
CID 87000027
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(2-fluorophenyl)propanamide
CID 47041716
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149065
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide (CID 108900039) is N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide is CC1CC(C)CN(C(=O)NCCc2ccccc2F)C1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is JZUJXFQSXOUAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12-9-13(2)11-19(10-12)16(20)18-8-7-14-5-3-4-6-15(14)17/h3-6,12-13H,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 108900039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).