N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide

C21H24F2N2O2 — CID 134800813

IUPACN-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(Cc2cccc(-c3ccc(F)c(F)c3)c2)CC1
InChIInChI=1S/C21H24F2N2O2/c1-27-14-21(26)24-18-7-9-25(10-8-18)13-15-3-2-4-16(11-15)17-5-6-19(22)20(23)12-17/h2-6,11-12,18H,7-10,13-14H2,1H3,(H,24,26)
InChIKeyLDCKFUOTGWVRLY-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.36
Rot. Bonds6

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

N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide (PubChem CID 134800813) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide
PubChem CID134800813
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC NameN-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(Cc2cccc(-c3ccc(F)c(F)c3)c2)CC1
InChIInChI=1S/C21H24F2N2O2/c1-27-14-21(26)24-18-7-9-25(10-8-18)13-15-3-2-4-16(11-15)17-5-6-19(22)20(23)12-17/h2-6,11-12,18H,7-10,13-14H2,1H3,(H,24,26)
InChIKeyLDCKFUOTGWVRLY-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide (CID 134800813) is N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(Cc2cccc(-c3ccc(F)c(F)c3)c2)CC1.
What is the InChIKey of N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide?
The InChIKey is LDCKFUOTGWVRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-27-14-21(26)24-18-7-9-25(10-8-18)13-15-3-2-4-16(11-15)17-5-6-19(22)20(23)12-17/h2-6,11-12,18H,7-10,13-14H2,1H3,(H,24,26).
What are the key properties of N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide?
N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide has a molecular weight of 374.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 134800813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).