3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide

C28H33F5N2O — CID 59049928

IUPAC3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)C1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CCC(F)(c3ccccc3)CC2)C1
InChIInChI=1S/C28H33F5N2O/c1-19(2)26(25(36)34-18-20-14-22(28(31,32)33)16-23(29)15-20)9-8-24(17-26)35-12-10-27(30,11-13-35)21-6-4-3-5-7-21/h3-7,14-16,19,24H,8-13,17-18H2,1-2H3,(H,34,36)
InChIKeyOLPZGVLOZOUNJV-UHFFFAOYSA-N
MW508.58 g/mol
LogP6.62
Rot. Bonds6

About 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide

3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 59049928) has the molecular formula C28H33F5N2O and a molecular weight of 508.58 g/mol. Its IUPAC name is 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
PubChem CID59049928
Molecular FormulaC28H33F5N2O
Molecular Weight508.58 g/mol
Exact Mass508.25
IUPAC Name3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)C1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CCC(F)(c3ccccc3)CC2)C1
InChIInChI=1S/C28H33F5N2O/c1-19(2)26(25(36)34-18-20-14-22(28(31,32)33)16-23(29)15-20)9-8-24(17-26)35-12-10-27(30,11-13-35)21-6-4-3-5-7-21/h3-7,14-16,19,24H,8-13,17-18H2,1-2H3,(H,34,36)
InChIKeyOLPZGVLOZOUNJV-UHFFFAOYSA-N
XLogP6.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide (CID 59049928) is 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide is CC(C)C1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CCC(F)(c3ccccc3)CC2)C1.
What is the InChIKey of 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is OLPZGVLOZOUNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F5N2O/c1-19(2)26(25(36)34-18-20-14-22(28(31,32)33)16-23(29)15-20)9-8-24(17-26)35-12-10-27(30,11-13-35)21-6-4-3-5-7-21/h3-7,14-16,19,24H,8-13,17-18H2,1-2H3,(H,34,36).
What are the key properties of 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide?
3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 508.58 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-4-phenylpiperidin-1-yl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 59049928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).