N-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide

C28H30F3N3O2 — CID 127052915

IUPACN-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
SMILESCCC1CCN(Cc2ccc(NC(=O)COc3ccc(-c4cccnc4)cc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C28H30F3N3O2/c1-2-20-11-14-34(15-12-20)18-23-5-8-24(16-26(23)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)22-4-3-13-32-17-22/h3-10,13,16-17,20H,2,11-12,14-15,18-19H2,1H3,(H,33,35)
InChIKeySCDSODVRFBVFCJ-UHFFFAOYSA-N
MW497.56 g/mol
LogP6.41
Rot. Bonds8

About N-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide

N-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide (PubChem CID 127052915) has the molecular formula C28H30F3N3O2 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
PubChem CID127052915
Molecular FormulaC28H30F3N3O2
Molecular Weight497.56 g/mol
Exact Mass497.23
IUPAC NameN-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
SMILESCCC1CCN(Cc2ccc(NC(=O)COc3ccc(-c4cccnc4)cc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C28H30F3N3O2/c1-2-20-11-14-34(15-12-20)18-23-5-8-24(16-26(23)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)22-4-3-13-32-17-22/h3-10,13,16-17,20H,2,11-12,14-15,18-19H2,1H3,(H,33,35)
InChIKeySCDSODVRFBVFCJ-UHFFFAOYSA-N
XLogP6.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.56
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide?
The IUPAC name of N-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide (CID 127052915) is N-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide?
The canonical SMILES for N-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide is CCC1CCN(Cc2ccc(NC(=O)COc3ccc(-c4cccnc4)cc3)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide?
The InChIKey is SCDSODVRFBVFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N3O2/c1-2-20-11-14-34(15-12-20)18-23-5-8-24(16-26(23)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)22-4-3-13-32-17-22/h3-10,13,16-17,20H,2,11-12,14-15,18-19H2,1H3,(H,33,35).
What are the key properties of N-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide?
N-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide has a molecular weight of 497.56 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylpiperidin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide is sourced from PubChem (CID 127052915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).