4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide

C15H20F2N2O — CID 106781871

IUPAC4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
SMILESCCNC(=O)C1CC(Cc2cc(F)cc(F)c2)CCN1
InChIInChI=1S/C15H20F2N2O/c1-2-18-15(20)14-8-10(3-4-19-14)5-11-6-12(16)9-13(17)7-11/h6-7,9-10,14,19H,2-5,8H2,1H3,(H,18,20)
InChIKeyPXRKPJVWMQTIBT-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.01
Rot. Bonds4

About 4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide

4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide (PubChem CID 106781871) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
PubChem CID106781871
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
SMILESCCNC(=O)C1CC(Cc2cc(F)cc(F)c2)CCN1
InChIInChI=1S/C15H20F2N2O/c1-2-18-15(20)14-8-10(3-4-19-14)5-11-6-12(16)9-13(17)7-11/h6-7,9-10,14,19H,2-5,8H2,1H3,(H,18,20)
InChIKeyPXRKPJVWMQTIBT-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,5-dimethylphenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 106777885
N-ethyl-4-[(5-fluoro-2-methylphenyl)methyl]piperidine-2-carboxamide
CID 106781844
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-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 114427828
4-(2-cyclopropylethyl)-N-ethylpiperidine-2-carboxamide
CID 106779884
4-ethyl-N-[2-(ethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 114428095
2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 174722870
4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 114429306
4-ethyl-N-[(4-hydroxyphenyl)methyl]piperidine-2-carboxamide
CID 114429606
4-[(4-tert-butylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 106778581
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739949

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide (CID 106781871) is 4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide is CCNC(=O)C1CC(Cc2cc(F)cc(F)c2)CCN1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide?
The InChIKey is PXRKPJVWMQTIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-2-18-15(20)14-8-10(3-4-19-14)5-11-6-12(16)9-13(17)7-11/h6-7,9-10,14,19H,2-5,8H2,1H3,(H,18,20).
What are the key properties of 4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide?
4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 106781871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).