N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide

C22H26F2N2O2 — CID 23723823

IUPACN-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCN(Cc3ccc(F)cc3F)C2)cc1
InChIInChI=1S/C22H26F2N2O2/c1-28-20-8-4-16(5-9-20)11-22(27)25-13-17-3-2-10-26(14-17)15-18-6-7-19(23)12-21(18)24/h4-9,12,17H,2-3,10-11,13-15H2,1H3,(H,25,27)
InChIKeyKKDKEVUBASIBEX-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.54
Rot. Bonds7

About N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide

N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 23723823) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID23723823
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCN(Cc3ccc(F)cc3F)C2)cc1
InChIInChI=1S/C22H26F2N2O2/c1-28-20-8-4-16(5-9-20)11-22(27)25-13-17-3-2-10-26(14-17)15-18-6-7-19(23)12-21(18)24/h4-9,12,17H,2-3,10-11,13-15H2,1H3,(H,25,27)
InChIKeyKKDKEVUBASIBEX-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723951
N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723842
N-[[(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42095101
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62581870
N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 22115368
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580437
3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 25280715
N-[[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetamide
CID 22257906
2-(4-methoxyphenyl)-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]acetamide
CID 25374202
2-(4-methoxyphenyl)-N-[[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methyl]acetamide
CID 25374197
5-[[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 95707342

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide (CID 23723823) is N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC2CCCN(Cc3ccc(F)cc3F)C2)cc1.
What is the InChIKey of N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is KKDKEVUBASIBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-28-20-8-4-16(5-9-20)11-22(27)25-13-17-3-2-10-26(14-17)15-18-6-7-19(23)12-21(18)24/h4-9,12,17H,2-3,10-11,13-15H2,1H3,(H,25,27).
What are the key properties of N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 388.46 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 23723823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).