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

C15H20F2N2O — CID 60946411

IUPACN-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)C1CCNCC1
InChIInChI=1S/C15H20F2N2O/c1-2-19(15(20)12-5-7-18-8-6-12)10-11-3-4-13(16)14(17)9-11/h3-4,9,12,18H,2,5-8,10H2,1H3
InChIKeyRRTYHTCFBYKLHJ-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.31
Rot. Bonds4

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

N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide (PubChem CID 60946411) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide
PubChem CID60946411
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)C1CCNCC1
InChIInChI=1S/C15H20F2N2O/c1-2-19(15(20)12-5-7-18-8-6-12)10-11-3-4-13(16)14(17)9-11/h3-4,9,12,18H,2,5-8,10H2,1H3
InChIKeyRRTYHTCFBYKLHJ-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide (CID 60946411) is N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide is CCN(Cc1ccc(F)c(F)c1)C(=O)C1CCNCC1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide?
The InChIKey is RRTYHTCFBYKLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-2-19(15(20)12-5-7-18-8-6-12)10-11-3-4-13(16)14(17)9-11/h3-4,9,12,18H,2,5-8,10H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide?
N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 60946411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).