1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide

C17H24F2N2O — CID 2838224

IUPAC1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H24F2N2O/c1-3-21(4-2)17(22)14-6-5-9-20(12-14)11-13-7-8-15(18)16(19)10-13/h7-8,10,14H,3-6,9,11-12H2,1-2H3
InChIKeyAPAXEAKJMNJJLO-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.05
Rot. Bonds5

About 1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 2838224) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID2838224
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H24F2N2O/c1-3-21(4-2)17(22)14-6-5-9-20(12-14)11-13-7-8-15(18)16(19)10-13/h7-8,10,14H,3-6,9,11-12H2,1-2H3
InChIKeyAPAXEAKJMNJJLO-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
(3R)-N,N-diethyl-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 764273
ethyl (3R)-1-[(3,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763085
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 40501214
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 765858
(3S)-1-[(2,4-dichlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 762813
(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 756890
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
(3S)-1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904719
(3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2057088

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide (CID 2838224) is 1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is APAXEAKJMNJJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c1-3-21(4-2)17(22)14-6-5-9-20(12-14)11-13-7-8-15(18)16(19)10-13/h7-8,10,14H,3-6,9,11-12H2,1-2H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 310.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 2838224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).