N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide

C32H39FN2O2 — CID 72699414

IUPACN-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(OCC3CCN(CC(C)(C)F)CC3)cc2)cc1
InChIInChI=1S/C32H39FN2O2/c1-4-35(22-25-8-6-5-7-9-25)31(36)29-12-10-27(11-13-29)28-14-16-30(17-15-28)37-23-26-18-20-34(21-19-26)24-32(2,3)33/h5-17,26H,4,18-24H2,1-3H3
InChIKeyJAMOTKSARCRYLH-UHFFFAOYSA-N
MW502.67 g/mol
LogP6.85
Rot. Bonds10

About N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide

N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide (PubChem CID 72699414) has the molecular formula C32H39FN2O2 and a molecular weight of 502.67 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
PubChem CID72699414
Molecular FormulaC32H39FN2O2
Molecular Weight502.67 g/mol
Exact Mass502.30
IUPAC NameN-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(OCC3CCN(CC(C)(C)F)CC3)cc2)cc1
InChIInChI=1S/C32H39FN2O2/c1-4-35(22-25-8-6-5-7-9-25)31(36)29-12-10-27(11-13-29)28-14-16-30(17-15-28)37-23-26-18-20-34(21-19-26)24-32(2,3)33/h5-17,26H,4,18-24H2,1-3H3
InChIKeyJAMOTKSARCRYLH-UHFFFAOYSA-N
XLogP6.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.67
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The IUPAC name of N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide (CID 72699414) is N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The canonical SMILES for N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide is CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(OCC3CCN(CC(C)(C)F)CC3)cc2)cc1.
What is the InChIKey of N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The InChIKey is JAMOTKSARCRYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN2O2/c1-4-35(22-25-8-6-5-7-9-25)31(36)29-12-10-27(11-13-29)28-14-16-30(17-15-28)37-23-26-18-20-34(21-19-26)24-32(2,3)33/h5-17,26H,4,18-24H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide?
N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide has a molecular weight of 502.67 g/mol, XLogP of 6.85, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 72699414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).