2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide

C23H29F2N3O — CID 92615698

IUPAC2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCC[C@@H](c2ccc(Cc3c(F)cccc3F)cn2)C1
InChIInChI=1S/C23H29F2N3O/c1-3-28(4-2)23(29)16-27-12-6-7-18(15-27)22-11-10-17(14-26-22)13-19-20(24)8-5-9-21(19)25/h5,8-11,14,18H,3-4,6-7,12-13,15-16H2,1-2H3/t18-/m1/s1
InChIKeyFSBHEUQYLAWZEW-GOSISDBHSA-N
MW401.50 g/mol
LogP4.00
Rot. Bonds7

About 2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide

2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide (PubChem CID 92615698) has the molecular formula C23H29F2N3O and a molecular weight of 401.50 g/mol. Its IUPAC name is 2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide
PubChem CID92615698
Molecular FormulaC23H29F2N3O
Molecular Weight401.50 g/mol
Exact Mass401.23
IUPAC Name2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCC[C@@H](c2ccc(Cc3c(F)cccc3F)cn2)C1
InChIInChI=1S/C23H29F2N3O/c1-3-28(4-2)23(29)16-27-12-6-7-18(15-27)22-11-10-17(14-26-22)13-19-20(24)8-5-9-21(19)25/h5,8-11,14,18H,3-4,6-7,12-13,15-16H2,1-2H3/t18-/m1/s1
InChIKeyFSBHEUQYLAWZEW-GOSISDBHSA-N
XLogP4.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide
CID 110264030
N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
CID 110093298
1-[3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenoxyethanone
CID 110093304
N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95813548
N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 92615559
2-pyrrolidin-1-yl-1-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 92615605
N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
CID 96576484
N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110264862
3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110264024
2-(3,5-dimethylpyrazol-1-yl)-1-[3-[5-[(2-ethoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110264051
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615597
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide (CID 92615698) is 2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCC[C@@H](c2ccc(Cc3c(F)cccc3F)cn2)C1.
What is the InChIKey of 2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide?
The InChIKey is FSBHEUQYLAWZEW-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29F2N3O/c1-3-28(4-2)23(29)16-27-12-6-7-18(15-27)22-11-10-17(14-26-22)13-19-20(24)8-5-9-21(19)25/h5,8-11,14,18H,3-4,6-7,12-13,15-16H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide?
2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide has a molecular weight of 401.50 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 92615698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).